Geometry & MOs

Info

ID:	74622
PubChem CID:	48422189
Reduced:	N3O3C20H21 (1)
Stoich.:	A3B3C20D21 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-59.51
Dipole, Da:	4.36
IP(EA), eV:	-9.62(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-cyanophenyl)methyl]-2-(cyclopropylmethoxy)-N-methylpropanamide

Drug info:

PubChemData

Smile

CN(CC1=CC=C(C=C1)C#N)C(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations