Geometry & MOs

Info

ID:

91133

PubChem CID:

49973504

Reduced:

NOC6H8 (6)

Stoich.:

ABC6D8 (6)

Weight, g/mol:

672.363533

ΔHf, kcal/mol:

-247.25

Dipole, Da:

10.25

IP(EA), eV:

 -9.0(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[2-methyl-6-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC(C)C)C

DOS

IR

Vibrations