Geometry & MOs

Info

ID:	355389
PubChem CID:	127288452
Reduced:	OSN8C14H16 (1)
Stoich.:	ABC8D14E16 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	94.86
Dipole, Da:	7.08
IP(EA), eV:	-9.71(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1CCN(C2)C(=O)C3=CSC(=N3)C4=NC=NN4

DOS

IR

Vibrations