Geometry & MOs

Info

ID:	172690
PubChem CID:	75541965
Reduced:	ClO2N4C10H13 (1)
Stoich.:	AB2C4D10E13 (1)
Weight, g/mol:	505.281481
ΔH_f, kcal/mol:	-30.05
Dipole, Da:	7.42
IP(EA), eV:	-9.4(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-cyclohexyl-5-[1-[2-(3,5-dimethylanilino)-2-oxoethyl]-2,4-dioxo-4aH-quinazolin-1-ium-3-yl]pentanamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=CN=NC(=O)C2Cl

DOS

IR

Vibrations