Geometry & MOs

Info

ID:	268302
PubChem CID:	103598814
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	390.182254
ΔH_f, kcal/mol:	-88.4
Dipole, Da:	8.45
IP(EA), eV:	-8.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(2-oxopyridin-1-yl)butyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C=CC(=O)NCCCCN2C=CC=CC2=O

DOS

IR

Vibrations