Geometry & MOs

Info

ID:	287768
PubChem CID:	104294129
Reduced:	BrN2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	281.177964
ΔH_f, kcal/mol:	-9.84
Dipole, Da:	5.86
IP(EA), eV:	-9.07(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-amino-5-methylphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CBr

DOS

IR

Vibrations