Geometry & MOs

Info

ID:	197007
PubChem CID:	78908627
Reduced:	N2O3C13H16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	216.126263
ΔH_f, kcal/mol:	-39.67
Dipole, Da:	0.75
IP(EA), eV:	-8.36(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-phenylethyl)-2-(prop-2-ynylamino)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CNCC#C)OC

DOS

IR

Vibrations