Geometry & MOs

Info

ID:	264129
PubChem CID:	103431070
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	314.087118
ΔH_f, kcal/mol:	-89.61
Dipole, Da:	4.05
IP(EA), eV:	-9.78(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-[(1-methylpyrrolidin-3-yl)methylamino]-4-methylsulfonylthiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CCC(CC)C1=NN=C(O1)C2=C(C=CC(=C2C(=O)O)C)C

DOS

IR

Vibrations