Geometry & MOs

Info

ID:

434990

PubChem CID:

135176157

Reduced:

NOC15H24 (2)

Stoich.:

ABC15D24 (2)

Weight, g/mol:

579.214951

ΔHf, kcal/mol:

-96.08

Dipole, Da:

1.32

IP(EA), eV:

 -8.39(0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-3-[3-[7-cyano-5-(methylaminomethyl)-1,3-benzoxazol-2-yl]-2-methylphenyl]phenyl]-1,5-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=C(C=C(C=C1)OCCN(C)C)C(C)CCC(C)C2=C(C=C(C=C2)OCCN)C(C)C

DOS

IR

Vibrations