Geometry & MOs

Info

ID:	95791
PubChem CID:	50014852
Reduced:	ClO4N5C31H42 (1)
Stoich.:	AB4C5D31E42 (1)
Weight, g/mol:	561.331505
ΔH_f, kcal/mol:	-176.79
Dipole, Da:	6.18
IP(EA), eV:	-8.98(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopentylcarbamoyl)phenyl]-1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NCC(C)C

DOS

IR

Vibrations