Geometry & MOs

Info

ID:	7161
PubChem CID:	71426
Reduced:	NO2C18H23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	285.172879
ΔH_f, kcal/mol:	-56.84
Dipole, Da:	5.71
IP(EA), eV:	-8.7(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S)-10-(cyclopropylmethyl)-4-hydroxy-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-8-one

Drug info:

PubChemData

Smile

CC1[C@H]2C(=O)C3=C([C@@]1(CCN2CC4CC4)C)C=C(C=C3)O

DOS

IR

Vibrations