Geometry & MOs

Info

ID:	263266
PubChem CID:	103350765
Reduced:	BrN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	353.97707
ΔH_f, kcal/mol:	-48.17
Dipole, Da:	4.95
IP(EA), eV:	-9.44(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-bromo-5-nitrophenyl)methyl]-1-(3-chlorophenyl)methanamine

Drug info:

PubChemData

Smile

CC1CCC(CC1)(CO)NCC2=CC(=CC(=C2)Br)[N+](=O)[O-]

DOS

IR

Vibrations