Geometry & MOs

Info

ID:	266707
PubChem CID:	103579145
Reduced:	NOSC11H13 (1)
Stoich.:	ABCD11E13 (1)
Weight, g/mol:	261.118735
ΔH_f, kcal/mol:	12.78
Dipole, Da:	3.1
IP(EA), eV:	-9.05(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-yn-3-yl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)CC1=CSC=C1

DOS

IR

Vibrations