Geometry & MOs

Info

ID:	342740
PubChem CID:	127265903
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	393.177645
ΔH_f, kcal/mol:	-63.5
Dipole, Da:	5.97
IP(EA), eV:	-8.79(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[3-[[3-(2,2,2-trifluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1CCCC1C(=O)N2CCN(CC2)CC3CCN(C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations