Geometry & MOs

Info

ID:	77379
PubChem CID:	48427254
Reduced:	ON3C18H21 (1)
Stoich.:	AB3C18D21 (1)
Weight, g/mol:	318.136828
ΔH_f, kcal/mol:	60.08
Dipole, Da:	3.56
IP(EA), eV:	-9.1(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanophenoxy)-N-[(4-methylphenyl)methyl]-N-prop-2-ynylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC#C)C(=O)CCC2=CN(N=C2)C

DOS

IR

Vibrations