Geometry & MOs

Info

ID:	201840
PubChem CID:	79591708
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	313.069198
ΔH_f, kcal/mol:	-75.06
Dipole, Da:	4.91
IP(EA), eV:	-9.38(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloronaphthalen-1-yl)-(4-methylsulfanylphenyl)methanamine

Drug info:

PubChemData

Smile

C1CCN(C1)CCOC2=C(C3=CC=CC=C3N=C2)C(=O)O

DOS

IR

Vibrations