Geometry & MOs

Info

ID:	253175
PubChem CID:	103116504
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-16.27
Dipole, Da:	11.0
IP(EA), eV:	-10.04(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-N-(1-methylpyrazole-3-carbonyl)anilino)acetic acid

Drug info:

PubChemData

Smile

CC(C)CCCN1C(=C(N=N1)C(=O)O)C2=NC=CN2C

DOS

IR

Vibrations