Geometry & MOs

Info

ID:	69596
PubChem CID:	47205002
Reduced:	ON2H6C7 (2)
Stoich.:	AB2C6D7 (2)
Weight, g/mol:	224.046489
ΔH_f, kcal/mol:	50.26
Dipole, Da:	3.86
IP(EA), eV:	-9.03(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)NC2=CC(=CC=C2)N3C=CC=N3

DOS

IR

Vibrations