Geometry & MOs

Info

ID:	265010
PubChem CID:	103507077
Reduced:	S2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	294.140199
ΔH_f, kcal/mol:	15.83
Dipole, Da:	7.73
IP(EA), eV:	-8.32(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-amino-4-cyclopropyl-5-(oxolan-3-ylmethylamino)thiophen-2-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C)CCCNC1=C(C(=C(S1)C#N)N)SC

DOS

IR

Vibrations