Geometry & MOs

Info

ID:	32676
PubChem CID:	7847091
Reduced:	N2O3C25H26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	413.162708
ΔH_f, kcal/mol:	-77.76
Dipole, Da:	2.2
IP(EA), eV:	-9.41(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@H](C)C(=O)N3CCC4=CC=CC=C4C3

DOS

IR

Vibrations