Geometry & MOs

Info

ID:	425918
PubChem CID:	135131495
Reduced:	N3H23C35 (1)
Stoich.:	A3B23C35 (1)
Weight, g/mol:	490.21689
ΔH_f, kcal/mol:	174.02
Dipole, Da:	1.87
IP(EA), eV:	-8.39(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS,11aR)-4-(2-fluorophenyl)-7,7,11a-trimethyl-2-quinolin-5-yl-5,6,6a,11-tetrahydro-[1,2]benzoxazolo[6,5-h]quinazoline

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC=CC=C3N2C4=CC(=CC(=C4)C5=CC=NC=C5)N6C7=CC=CC=C7C8=CC=CC=C86

DOS

IR

Vibrations