Geometry & MOs

Info

ID:	177860
PubChem CID:	76245758
Reduced:	F2O3N4C17H22 (1)
Stoich.:	A2B3C4D17E22 (1)
Weight, g/mol:	388.147273
ΔH_f, kcal/mol:	-186.77
Dipole, Da:	6.14
IP(EA), eV:	-9.4(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[(3,4-difluorophenyl)methyl]-2-(3-ethyl-2,4-dioxo-4aH-quinazolin-1-ium-1-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C(=O)C1C(N(C(=O)N(C1=O)C)C)N)N(C)CC2=CC(=C(C=C2)F)F

DOS

IR

Vibrations