Geometry & MOs

Info

ID:	171429
PubChem CID:	75376673
Reduced:	N3O4C16H19 (1)
Stoich.:	A3B4C16D19 (1)
Weight, g/mol:	299.090606
ΔH_f, kcal/mol:	-74.68
Dipole, Da:	13.11
IP(EA), eV:	-8.93(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1H-pyrazol-4-yl)ethyl 2-methyl-1,3-dioxoisoindole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CNC2=C(C=C(C=C2)[N+](=O)[O-])COC)C

DOS

IR

Vibrations