Geometry & MOs

Info

ID:	194571
PubChem CID:	78558094
Reduced:	N3O5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	345.132471
ΔH_f, kcal/mol:	-98.99
Dipole, Da:	5.64
IP(EA), eV:	-9.31(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-methylphenyl)-1-oxopropan-2-yl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

DOS

IR

Vibrations