Geometry & MOs

Info

ID:	109730
PubChem CID:	50295545
Reduced:	O4N5C33H47 (1)
Stoich.:	A4B5C33D47 (1)
Weight, g/mol:	521.300205
ΔH_f, kcal/mol:	-196.48
Dipole, Da:	3.49
IP(EA), eV:	-8.66(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[3-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(propylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC(C)C

DOS

IR

Vibrations