Geometry & MOs

Info

ID:	188655
PubChem CID:	77748543
Reduced:	ON2C17H18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	377.161366
ΔH_f, kcal/mol:	17.54
Dipole, Da:	1.85
IP(EA), eV:	-8.98(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)-4aH-quinazolin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

C1CC(=CC2=CC=C(C=C2)O)C(NC1)C3=CN=CC=C3

DOS

IR

Vibrations