Geometry & MOs

Info

ID:	27213
PubChem CID:	819734
Reduced:	ClN2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	253.032813
ΔH_f, kcal/mol:	-39.71
Dipole, Da:	6.21
IP(EA), eV:	-9.79(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-[3-(aminomethyl)thiophen-2-yl]-(4-chlorophenyl)methanol

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations