Geometry & MOs

Info

ID:	266804
PubChem CID:	103579522
Reduced:	NO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-76.15
Dipole, Da:	4.11
IP(EA), eV:	-8.9(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-yn-3-yl-3-phenoxypropanamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=C(C(=CC=C1)O)O

DOS

IR

Vibrations