Geometry & MOs

Info

ID:	267260
PubChem CID:	103581572
Reduced:	BrClNSC13H13 (1)
Stoich.:	ABCDE13F13 (1)
Weight, g/mol:	353.97707
ΔH_f, kcal/mol:	38.32
Dipole, Da:	3.91
IP(EA), eV:	-9.16(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CNCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations