Geometry & MOs

Info

ID:	248315
PubChem CID:	103080575
Reduced:	N3O4C10H15 (1)
Stoich.:	A3B4C10D15 (1)
Weight, g/mol:	353.00112
ΔH_f, kcal/mol:	-77.07
Dipole, Da:	9.13
IP(EA), eV:	-10.6(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)-2-(1-methyl-4-nitropyrazol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations