Geometry & MOs

Info

ID:	207763
PubChem CID:	80445842
Reduced:	NOC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	235.14331
ΔH_f, kcal/mol:	-45.5
Dipole, Da:	1.19
IP(EA), eV:	-8.46(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-methyl-2-(methylamino)butyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

Drug info:

PubChemData

Smile

CCC(C)C(COC1=CC=C(C=C1)C)NC

DOS

IR

Vibrations