Geometry & MOs

Info

ID:	160600
PubChem CID:	57389175
Reduced:	FON5H26C30 (1)
Stoich.:	ABC5D26E30 (1)
Weight, g/mol:	404.163711
ΔH_f, kcal/mol:	53.47
Dipole, Da:	5.28
IP(EA), eV:	-8.86(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-quinolin-4-yl-7-quinoxalin-6-yl-3,5-dihydro-2H-1,4-benzoxazepine

Drug info:

PubChemData

Smile

CC1=C(C(=NC=N1)N2CCOC3=C(C2)C=C(C=C3)C4=CC=C(C=C4)C5=NC=CN5)CC6=CC=C(C=C6)F

DOS

IR

Vibrations