Geometry & MOs

Info

ID:	193096
PubChem CID:	78343069
Reduced:	F3N3O3C16H20 (1)
Stoich.:	A3B3C3D16E20 (1)
Weight, g/mol:	417.226371
ΔH_f, kcal/mol:	-269.21
Dipole, Da:	1.25
IP(EA), eV:	-9.65(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-3-(6,7-diethoxy-2,4-dioxo-4aH-quinazolin-3-yl)propanamide

Drug info:

PubChemData

Smile

CN1C(=O)CC(N(C1=O)CC2=CC(=CC=C2)C(F)(F)F)NCCOC

DOS

IR

Vibrations