Geometry & MOs

Info

ID:	5012
PubChem CID:	12441
Reduced:	NO4C19H19 (1)
Stoich.:	AB4C19D19 (1)
Weight, g/mol:	325.131408
ΔH_f, kcal/mol:	-99.32
Dipole, Da:	2.17
IP(EA), eV:	-8.28(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12S)-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol

Drug info:

PubChemData

Smile

CN1CCC2=CC3=C(C4=C2[C@@H]1CC5=C4C(=C(C=C5)OC)O)OCO3

DOS

IR

Vibrations