Geometry & MOs

Info

ID:	415903
PubChem CID:	135088905
Reduced:	O2N3C17H25 (1)
Stoich.:	A2B3C17D25 (1)
Weight, g/mol:	279.077454
ΔH_f, kcal/mol:	-64.77
Dipole, Da:	5.91
IP(EA), eV:	-8.72(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(3-chlorophenyl)methyl-methylamino]methyl]-1H-pyrazole-5-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)C1C[C@@H]2CC(C[C@@H]2C1)N(C)C(=O)C3=CC(=CN=C3)O

DOS

IR

Vibrations