Geometry & MOs

Info

ID:	52758
PubChem CID:	12015868
Reduced:	NO3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	276.20893
ΔH_f, kcal/mol:	-120.2
Dipole, Da:	2.83
IP(EA), eV:	-9.04(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,6R,7S)-7-[(1S)-2-methylidenecyclohexyl]-11-oxatricyclo[5.3.2.01,6]dodecan-12-ol

Drug info:

PubChemData

Smile

COC(=O)CC12CCCCN1[C@H](CO2)C3=CC=CC=C3

DOS

IR

Vibrations