Geometry & MOs

Info

ID:	201841
PubChem CID:	79591916
Reduced:	ClNSH16C18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	378.95302
ΔH_f, kcal/mol:	55.08
Dipole, Da:	1.85
IP(EA), eV:	-8.39(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-bromo-2-chlorophenyl)-(4-chloronaphthalen-1-yl)methanamine

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C(C2=CC=C(C3=CC=CC=C32)Cl)N

DOS

IR

Vibrations