Geometry & MOs

Info

ID:	264031
PubChem CID:	103419638
Reduced:	ON2S2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	311.166748
ΔH_f, kcal/mol:	-18.94
Dipole, Da:	5.18
IP(EA), eV:	-8.11(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(azepan-1-yl)-N-methyl-4-propan-2-yloxythiophene-2-carboxamide

Drug info:

PubChemData

Smile

CSC1=C(SC(=C1N)C(=O)C2CC2)N3CCCCCC3

DOS

IR

Vibrations