Geometry & MOs

Info

ID:	195748
PubChem CID:	78730921
Reduced:	ClO2N4C21H31 (1)
Stoich.:	AB2C4D21E31 (1)
Weight, g/mol:	425.21888
ΔH_f, kcal/mol:	-111.83
Dipole, Da:	8.3
IP(EA), eV:	-9.09(0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6,7-dimethoxy-4-oxo-6H-quinazolin-2-yl)methyl-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CN(C)CC2NC3CC(CCC3C(=O)N2)Cl)C

DOS

IR

Vibrations