Geometry & MOs

Info

ID:	265027
PubChem CID:	103507273
Reduced:	OSN3C15H25 (1)
Stoich.:	ABC3D15E25 (1)
Weight, g/mol:	308.130697
ΔH_f, kcal/mol:	-47.52
Dipole, Da:	5.78
IP(EA), eV:	-8.07(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-amino-5-cyano-2-(3,4,5-trimethylpiperazin-1-yl)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1CN(CC(N1C)C)C2=CC(=C(S2)C(=O)C(C)C)N

DOS

IR

Vibrations