Geometry & MOs

Info

ID:	160980
PubChem CID:	57390425
Reduced:	N2O5C29H36 (1)
Stoich.:	A2B5C29D36 (1)
Weight, g/mol:	423.204573
ΔH_f, kcal/mol:	-160.31
Dipole, Da:	3.96
IP(EA), eV:	-8.18(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(14aR,15R)-2,3,6,7-tetramethoxy-11,12,13,14,14a,15-hexahydro-9H-phenanthro[9,10-b]quinolizin-15-ol

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)N[C@@H]1[C@@H]2CCCN2CC3=C1C4=CC(=C(C=C4C5=CC(=C(C=C35)OC)OC)OC)OC

DOS

IR

Vibrations