Geometry & MOs

Info

ID:	103914
PubChem CID:	50085440
Reduced:	BrO3N4C30H33 (1)
Stoich.:	AB3C4D30E33 (1)
Weight, g/mol:	526.294391
ΔH_f, kcal/mol:	-77.65
Dipole, Da:	9.44
IP(EA), eV:	-8.56(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-1-[1-[2-methyl-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations