Geometry & MOs

Info

ID:	253201
PubChem CID:	103116754
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	290.065119
ΔH_f, kcal/mol:	-59.61
Dipole, Da:	3.55
IP(EA), eV:	-9.91(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-methylpyrazole-3-carbonyl)amino]-4-nitrobenzoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(=O)O)C(=O)C1=C2C=NC=CN2N=C1

DOS

IR

Vibrations