Geometry & MOs

Info

ID:	69424
PubChem CID:	47170027
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	221.03559
ΔH_f, kcal/mol:	-47.16
Dipole, Da:	3.61
IP(EA), eV:	-9.28(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)C(=O)N(C)C2C3CC4CC(C3)CC2C4

DOS

IR

Vibrations