Geometry & MOs

Info

ID:	169537
PubChem CID:	75117938
Reduced:	F3N4O4H19C21 (1)
Stoich.:	A3B4C4D19E21 (1)
Weight, g/mol:	381.132471
ΔH_f, kcal/mol:	-197.61
Dipole, Da:	8.24
IP(EA), eV:	-8.7(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2,4-dioxo-4aH-quinazolin-3-yl)propanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CNN3C2=NC(=O)CC3C(=O)NC4=CC(=C(C(=C4)F)F)F)OC

DOS

IR

Vibrations