Geometry & MOs

Info

ID:	369638
PubChem CID:	127334968
Reduced:	NO2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	371.209658
ΔH_f, kcal/mol:	-111.16
Dipole, Da:	1.31
IP(EA), eV:	-8.39(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-hydroxycyclohexyl)oxyphenyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C(C1)O)OC2=CC=C(C=C2)NC(=O)C3=NOC4=C3CCCC4

DOS

IR

Vibrations