Geometry & MOs

Info

ID:	317269
PubChem CID:	126635294
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	257.141579
ΔH_f, kcal/mol:	-32.95
Dipole, Da:	5.86
IP(EA), eV:	-7.65(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,7-dimethyl-16-oxa-6-azatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),9(14),10,12-tetraen-12-ol

Drug info:

PubChemData

Smile

CC1CC2=C3C4=C(C=CC[C@@H]4OC3=C(C=C2)O)N(C1)C

DOS

IR

Vibrations