Geometry & MOs

Info

ID:	174954
PubChem CID:	75837816
Reduced:	FNOC19H22 (1)
Stoich.:	ABCD19E22 (1)
Weight, g/mol:	405.229051
ΔH_f, kcal/mol:	-62.08
Dipole, Da:	3.78
IP(EA), eV:	-9.02(0.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

9-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]-1,2,3,3a,6,7,8,8a,9,10-decahydro-[1,2,4]triazolo[5,1-b]quinazolin-10-ium

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2CCCN2CC(C3=CC(=CC=C3)F)O

DOS

IR

Vibrations