Geometry & MOs

Info

ID:	170259
PubChem CID:	75213733
Reduced:	N2O3H22C24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	401.150619
ΔH_f, kcal/mol:	-43.03
Dipole, Da:	5.8
IP(EA), eV:	-9.29(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC2=CC=CC=C2C1)OC(=O)C=CC3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations