Geometry & MOs

Info

ID:	266727
PubChem CID:	103579222
Reduced:	O2N3C10H11 (1)
Stoich.:	A2B3C10D11 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-16.25
Dipole, Da:	0.94
IP(EA), eV:	-9.79(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-yn-3-yl-4-phenylbutanamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=CNC(=O)C=N1

DOS

IR

Vibrations