Geometry & MOs

Info

ID:	69206
PubChem CID:	46530453
Reduced:	BrN2O3H19C23 (1)
Stoich.:	AB2C3D19E23 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	-46.93
Dipole, Da:	8.78
IP(EA), eV:	-8.98(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2C(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations