Geometry & MOs

Info

ID:	43205
PubChem CID:	10319534
Reduced:	BrO2C23H25 (1)
Stoich.:	AB2C23D25 (1)
Weight, g/mol:	413.173942
ΔH_f, kcal/mol:	-76.21
Dipole, Da:	3.08
IP(EA), eV:	-9.12(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S,5aS,10aS)-1,3-dimethyl-5-(naphthalen-2-ylamino)-5,5a,10a,11-tetrahydrocyclohepta[g]quinazoline-2,4,10-trione

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)[C@@H](CBr)OC(=O)C4=CC=CC5=CC=CC=C54

DOS

IR

Vibrations