Geometry & MOs

Info

ID:	69644
PubChem CID:	47205079
Reduced:	ClOSN3C12H12 (1)
Stoich.:	ABCD3E12F12 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	13.65
Dipole, Da:	6.04
IP(EA), eV:	-8.93(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-N-(1H-pyrazol-5-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CSC1=CC(=C(C=C1)Cl)C(=O)NCC2=CC=NN2

DOS

IR

Vibrations