Geometry & MOs

Info

ID:	106629
PubChem CID:	50171069
Reduced:	BrN5O5C27H32 (1)
Stoich.:	AB5C5D27E32 (1)
Weight, g/mol:	535.279469
ΔH_f, kcal/mol:	-176.37
Dipole, Da:	4.44
IP(EA), eV:	-9.02(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Br)C(=O)N

DOS

IR

Vibrations