Geometry & MOs

Info

ID:	268236
PubChem CID:	103598519
Reduced:	FNO2C22H24 (1)
Stoich.:	ABC2D22E24 (1)
Weight, g/mol:	310.168128
ΔH_f, kcal/mol:	-94.77
Dipole, Da:	1.67
IP(EA), eV:	-9.2(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(2-methylpropoxy)phenyl]methyl]-3-pyridin-4-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC(=CC(=O)N1CCC(CC1)C(C2=CC=CC=C2)O)C3=CC=CC=C3F

DOS

IR

Vibrations