Geometry & MOs

Info

ID:	178032
PubChem CID:	76266844
Reduced:	ClO2N4C20H29 (1)
Stoich.:	AB2C4D20E29 (1)
Weight, g/mol:	403.158172
ΔH_f, kcal/mol:	-83.51
Dipole, Da:	5.43
IP(EA), eV:	-8.86(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-(dimethylamino)-3,5-difluorophenyl]-2-(3-ethyl-2,4-dioxo-4aH-quinazolin-1-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CC2CC(NN2)NC(=O)CCNC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations