Geometry & MOs

Info

ID:	107680
PubChem CID:	50214651
Reduced:	O3N4C28H38 (1)
Stoich.:	A3B4C28D38 (1)
Weight, g/mol:	521.300205
ΔH_f, kcal/mol:	-122.26
Dipole, Da:	7.33
IP(EA), eV:	-8.89(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-(dimethylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C3=CC=CC=C3)C

DOS

IR

Vibrations