Geometry & MOs

Info

ID:	170082
PubChem CID:	75194024
Reduced:	FO3N4H21C23 (1)
Stoich.:	AB3C4D21E23 (1)
Weight, g/mol:	305.152812
ΔH_f, kcal/mol:	-75.22
Dipole, Da:	8.2
IP(EA), eV:	-9.04(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-naphthalen-1-yl-N-(3-pyrazol-1-ylpropyl)prop-2-enamide

Drug info:

PubChemData

Smile

CCC1=C(C(=O)N(N1)CC2=CC=CC=C2)C=C3C(=O)N(C(=O)N3)CC4=CC(=CC=C4)F

DOS

IR

Vibrations