Geometry & MOs

Info

ID:	404831
PubChem CID:	135071379
Reduced:	ClNOH22C24 (1)
Stoich.:	ABCD22E24 (1)
Weight, g/mol:	373.06774
ΔH_f, kcal/mol:	40.73
Dipole, Da:	3.92
IP(EA), eV:	-8.42(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-bromo-2-methyl-N-(3-methylphenyl)-3-oxobutanamide

Drug info:

PubChemData

Smile

CC(=O)/C=C/C1=C(C=CC(=C1)Cl)N(CC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations