Geometry & MOs

Info

ID:	34194
PubChem CID:	7890246
Reduced:	N3O4C16H17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	404.137222
ΔH_f, kcal/mol:	-55.64
Dipole, Da:	7.96
IP(EA), eV:	-9.82(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3R)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl] 3-hydroxybenzoate

Drug info:

PubChemData

Smile

CC(C)N(C1=CC=CC=C1)C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations