Geometry & MOs

Info

ID:	69205
PubChem CID:	46530451
Reduced:	N3O3C24H25 (1)
Stoich.:	A3B3C24D25 (1)
Weight, g/mol:	450.05791
ΔH_f, kcal/mol:	-52.06
Dipole, Da:	2.85
IP(EA), eV:	-9.1(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-acetamidophenyl)methyl]-2-(4-bromobenzoyl)benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C(C)C)NC(=O)CN2C=NC3=C(C2=O)OC4=CC=CC=C43

DOS

IR

Vibrations