Geometry & MOs

Info

ID:	128165
PubChem CID:	51033204
Reduced:	NOCl2C9H13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	161.095297
ΔH_f, kcal/mol:	-35.95
Dipole, Da:	4.94
IP(EA), eV:	-9.85(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethylpyrrol-1-yl)-1H-pyrazole

Drug info:

PubChemData

Smile

CC(C(=O)N(CC=C)CC=C)(Cl)Cl

DOS

IR

Vibrations