Geometry & MOs

Info

ID:	95453
PubChem CID:	50009442
Reduced:	FO4N5C32H36 (1)
Stoich.:	AB4C5D32E36 (1)
Weight, g/mol:	452.242356
ΔH_f, kcal/mol:	-165.48
Dipole, Da:	1.87
IP(EA), eV:	-8.96(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=C(C=C4)F)C

DOS

IR

Vibrations