Geometry & MOs

Info

ID:	380624
PubChem CID:	134971119
Reduced:	PN2O3C28H39 (1)
Stoich.:	AB2C3D28E39 (1)
Weight, g/mol:	201.15175
ΔH_f, kcal/mol:	-97.44
Dipole, Da:	6.0
IP(EA), eV:	-8.91(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5aS,9aS)-5a-methyl-6,7,8,9,9a,10-hexahydro-5H-benzo[g]quinoline

Drug info:

PubChemData

Smile

CCO[C@@H](C=C)[C@@H]1[C@H](N(P(=O)N1[C@@H](C)C2=CC=CC=C2)[C@@H](C)C3=CC=CC=C3)C(C=C)OCC

DOS

IR

Vibrations