Geometry & MOs

Info

ID:	327507
PubChem CID:	126690164
Reduced:	ClN2O2H5C7 (1)
Stoich.:	AB2C2D5E7 (1)
Weight, g/mol:	143.076871
ΔH_f, kcal/mol:	-1.6
Dipole, Da:	3.23
IP(EA), eV:	-9.88(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dimethyl-2,3-dihydrothiophen-5-yl)methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)N=O)C(=O)N

DOS

IR

Vibrations