Geometry & MOs

Info

ID:	197492
PubChem CID:	78970647
Reduced:	OSN3C9H11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	188.094963
ΔH_f, kcal/mol:	57.49
Dipole, Da:	4.68
IP(EA), eV:	-9.87(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-prop-2-ynylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC#C)C(=O)C1=CN=NS1

DOS

IR

Vibrations