Geometry & MOs

Info

ID:	329893
PubChem CID:	127246760
Reduced:	FO2N3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	316.164774
ΔH_f, kcal/mol:	-74.85
Dipole, Da:	5.75
IP(EA), eV:	-8.62(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(hydroxymethyl)triazol-1-yl]-1-[2-[2-(methylamino)pyridin-4-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C2CCCN2C(=O)C3=C(C=CC(=C3)F)OC

DOS

IR

Vibrations