Geometry & MOs

Info

ID:	302940
PubChem CID:	124403764
Reduced:	BrNO2H20C21 (1)
Stoich.:	ABC2D20E21 (1)
Weight, g/mol:	375.183444
ΔH_f, kcal/mol:	-13.39
Dipole, Da:	1.84
IP(EA), eV:	-8.28(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3aS,4R,9bR)-4-(4-prop-2-enoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)[C@@H]3C=CC[C@@H]3[C@@H](N2)C4=CC5=C(C=C4Br)OCO5)C

DOS

IR

Vibrations