Geometry & MOs

Info

ID:	252879
PubChem CID:	103114750
Reduced:	Br2N2O2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	367.99272
ΔH_f, kcal/mol:	41.26
Dipole, Da:	4.85
IP(EA), eV:	-9.73(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations