Geometry & MOs

Info

ID:	271172
PubChem CID:	103646501
Reduced:	BrClN2O2C14H16 (1)
Stoich.:	ABC2D2E14F16 (1)
Weight, g/mol:	249.06689
ΔH_f, kcal/mol:	-80.02
Dipole, Da:	1.52
IP(EA), eV:	-9.59(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloropyridin-3-yl)-1,5-dimethylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)N(CC(=O)N)C(=O)C2=C(C=CC(=C2)Cl)Br

DOS

IR

Vibrations