Geometry & MOs

Info

ID:	237554
PubChem CID:	92719732
Reduced:	N3O3C23H27 (1)
Stoich.:	A3B3C23D27 (1)
Weight, g/mol:	337.204179
ΔH_f, kcal/mol:	-79.13
Dipole, Da:	8.34
IP(EA), eV:	-8.57(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aS,5R,10bS)-9-methyl-5-(2-propoxyphenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline

Drug info:

PubChemData

Smile

CCCNC(=O)N1[C@@H](C2=C(CC(CC2=O)(C)C)NC3=CC=CC=C31)C4=CC=CO4

DOS

IR

Vibrations