Geometry & MOs

Info

ID:	271160
PubChem CID:	103645777
Reduced:	NOC9H14 (2)
Stoich.:	ABC9D14 (2)
Weight, g/mol:	250.062139
ΔH_f, kcal/mol:	-87.35
Dipole, Da:	3.6
IP(EA), eV:	-9.28(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloropyridin-3-yl)-2,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)NCC(C)(C)C2=CC=CC=C2

DOS

IR

Vibrations