Geometry & MOs

Info

ID:	270189
PubChem CID:	103632971
Reduced:	ClNOC6H7 (2)
Stoich.:	ABCD6E7 (2)
Weight, g/mol:	312.079619
ΔH_f, kcal/mol:	-37.73
Dipole, Da:	6.97
IP(EA), eV:	-9.62(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-cyclopentylpyrrolidin-1-yl)-(2,6-dichloropyridin-3-yl)methanone

Drug info:

PubChemData

Smile

COCCN(C1CC1)C(=O)C2=C(N=C(C=C2)Cl)Cl

DOS

IR

Vibrations