Geometry & MOs

Info

ID:	27209
PubChem CID:	819600
Reduced:	NO2C23H23 (1)
Stoich.:	AB2C23D23 (1)
Weight, g/mol:	247.059306
ΔH_f, kcal/mol:	-7.28
Dipole, Da:	3.46
IP(EA), eV:	-9.04(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-nitropyrazol-1-yl)methyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(C[C@@H]2C(=O)NCC3=CC=CO3)C4=CC=C(C=C4)C

DOS

IR

Vibrations