Geometry & MOs

Info

ID:	130521
PubChem CID:	51091041
Reduced:	ON3C14H23 (1)
Stoich.:	AB3C14D23 (1)
Weight, g/mol:	332.181253
ΔH_f, kcal/mol:	-42.76
Dipole, Da:	5.14
IP(EA), eV:	-9.24(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

Drug info:

PubChemData

Smile

CC(C)CN(C(C)C)C(=O)NCC1=CN=CC=C1

DOS

IR

Vibrations