Geometry & MOs

Info

ID:	160265
PubChem CID:	57309611
Reduced:	O3C40H44 (1)
Stoich.:	A3B40C44 (1)
Weight, g/mol:	373.298079
ΔH_f, kcal/mol:	-63.0
Dipole, Da:	2.71
IP(EA), eV:	-8.31(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,11R,12S,16S)-2,16-dimethyl-14-piperidin-1-yl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-ol

Drug info:

PubChemData

Smile

C1CCOC(C1)OC2=CC3=C(C=C2)C(=C(CCC3)C4=CC=CC=C4)C5=CC=C(C=C5)OCCCCCCC6=CC=CC=C6

DOS

IR

Vibrations