Geometry & MOs

Info

ID:	287937
PubChem CID:	104301295
Reduced:	ClNSC15H18 (1)
Stoich.:	ABCD15E18 (1)
Weight, g/mol:	295.112777
ΔH_f, kcal/mol:	11.44
Dipole, Da:	4.09
IP(EA), eV:	-8.9(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-3-methylphenyl)-(2-methylnaphthalen-1-yl)methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C(C2=CC(=C(C=C2)Cl)C)NC)C

DOS

IR

Vibrations