Geometry & MOs

Info

ID:	266762
PubChem CID:	103579310
Reduced:	NOC5H7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	213.115364
ΔH_f, kcal/mol:	-46.82
Dipole, Da:	3.45
IP(EA), eV:	-9.99(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-yn-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1CC(=O)NC1

DOS

IR

Vibrations