Geometry & MOs

Info

ID:	245079
PubChem CID:	99437379
Reduced:	N2O3C10H10 (2)
Stoich.:	A2B3C10D10 (2)
Weight, g/mol:	412.138284
ΔH_f, kcal/mol:	-87.48
Dipole, Da:	1.58
IP(EA), eV:	-8.93(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-[(4-methoxy-2-nitrophenyl)carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN([C@@H](C1)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations