Geometry & MOs

Info

ID:	252863
PubChem CID:	103114681
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	367.99272
ΔH_f, kcal/mol:	18.01
Dipole, Da:	6.33
IP(EA), eV:	-9.18(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-chlorophenyl)-N-[(2-methyl-3-nitrophenyl)methyl]methanamine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)CNCC2=C(C(=CC=C2)[N+](=O)[O-])C

DOS

IR

Vibrations