Geometry & MOs

Info

ID:	264078
PubChem CID:	103426252
Reduced:	OSN3C13H23 (1)
Stoich.:	ABC3D13E23 (1)
Weight, g/mol:	290.156518
ΔH_f, kcal/mol:	-44.34
Dipole, Da:	6.52
IP(EA), eV:	-8.1(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-cyclopropyl-5-[(1-ethylpyrrolidin-2-yl)methylamino]thiophene-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=C(C=C(S1)NCCCN(C)C)N

DOS

IR

Vibrations