Geometry & MOs

Info

ID:	95272
PubChem CID:	50007663
Reduced:	O4N5C30H39 (1)
Stoich.:	A4B5C30D39 (1)
Weight, g/mol:	493.268905
ΔH_f, kcal/mol:	-150.04
Dipole, Da:	10.22
IP(EA), eV:	-9.15(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[3-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=CC=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC)C

DOS

IR

Vibrations