Geometry & MOs

Info

ID:	187146
PubChem CID:	77535567
Reduced:	NO2C5H7 (3)
Stoich.:	AB2C5D7 (3)
Weight, g/mol:	510.226705
ΔH_f, kcal/mol:	-238.05
Dipole, Da:	1.64
IP(EA), eV:	-9.51(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-4-[1-(2-hydroxyethyl)-4,5-diphenylpyrazole-3-carbonyl]piperazine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CC(CC(=O)NCC2=CC=CO2)NC(=O)O

DOS

IR

Vibrations