Geometry & MOs

Info

ID:	110542
PubChem CID:	50329174
Reduced:	BrO4N5C25H30 (1)
Stoich.:	AB4C5D25E30 (1)
Weight, g/mol:	484.224119
ΔH_f, kcal/mol:	-151.32
Dipole, Da:	4.8
IP(EA), eV:	-8.86(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC=C3Br)C(=O)N

DOS

IR

Vibrations