Geometry & MOs

Info

ID:	49156
PubChem CID:	11528770
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	233.177964
ΔH_f, kcal/mol:	-66.67
Dipole, Da:	3.15
IP(EA), eV:	-8.9(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6S,7S,10S,11R)-7,10-dimethyl-8-azatetracyclo[6.5.1.01,6.07,11]tetradecan-9-one

Drug info:

PubChemData

Smile

C1CC=CC(C1)NCC(C2=CC=C(C=C2)O)O

DOS

IR

Vibrations