Geometry & MOs

Info

ID:	186004
PubChem CID:	77377225
Reduced:	N8C17H22 (1)
Stoich.:	A8B17C22 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	150.72
Dipole, Da:	7.6
IP(EA), eV:	-8.76(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2-methoxyphenyl)triazol-4-yl]-4-methyl-5a,6,7,8,9,9a-hexahydroimidazo[1,5-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CC1CC1C2=CN(N=N2)C3=NNC4N3C5=CN=CN5C6C4CCCC6

DOS

IR

Vibrations