Geometry & MOs

Info

ID:	145657
PubChem CID:	53565727
Reduced:	ON3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	3.02
Dipole, Da:	2.43
IP(EA), eV:	-9.13(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)CC(C3CC3)C4CC4

DOS

IR

Vibrations