Geometry & MOs

Info

ID:	264059
PubChem CID:	103422516
Reduced:	OSN2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	307.171834
ΔH_f, kcal/mol:	-31.2
Dipole, Da:	6.64
IP(EA), eV:	-8.04(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(4-ethylazepan-1-yl)-N-prop-2-enylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCN(C1)C2=CC(=C(S2)C(=O)C3CC3)N)C

DOS

IR

Vibrations