Geometry & MOs

Info

ID:	46249
PubChem CID:	10523499
Reduced:	NO6C20H25 (1)
Stoich.:	AB6C20D25 (1)
Weight, g/mol:	375.147058
ΔH_f, kcal/mol:	-187.85
Dipole, Da:	4.13
IP(EA), eV:	-9.69(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-benzoyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])C2=C(CC(CC2=O)(C)C)O

DOS

IR

Vibrations