Geometry & MOs

Info

ID:	368739
PubChem CID:	127329982
Reduced:	N3O3C22H27 (1)
Stoich.:	A3B3C22D27 (1)
Weight, g/mol:	398.223038
ΔH_f, kcal/mol:	-95.03
Dipole, Da:	5.36
IP(EA), eV:	-8.24(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCCC(C2)NC(=O)N[C@@H]3[C@@H](CC4=CC=CC=C34)O

DOS

IR

Vibrations