Geometry & MOs

Info

ID:	126394
PubChem CID:	50963622
Reduced:	ClON4C17H19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	340.201159
ΔH_f, kcal/mol:	29.52
Dipole, Da:	6.22
IP(EA), eV:	-8.57(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pyrrolidin-1-yl-N-[[2-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C2=C(N=CN2CCCO)C3=CC=CC=C3)Cl)C

DOS

IR

Vibrations