Geometry & MOs

Info

ID:	73828
PubChem CID:	48420593
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	400.153541
ΔH_f, kcal/mol:	-98.11
Dipole, Da:	3.48
IP(EA), eV:	-9.74(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)NCCC(=O)OC(C1=CC=CC=C1)C2=CC=NC=C2

DOS

IR

Vibrations