Geometry & MOs

Info

ID:	27512
PubChem CID:	821719
Reduced:	ClNSC14H16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	189.061221
ΔH_f, kcal/mol:	18.1
Dipole, Da:	1.37
IP(EA), eV:	-8.65(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-phenylthiophen-2-yl)methanamine

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CSC3=C2C=C(C=C3)Cl

DOS

IR

Vibrations