Geometry & MOs

Info

ID:	217627
PubChem CID:	85088119
Reduced:	SN2O2C22H26 (1)
Stoich.:	AB2C2D22E26 (1)
Weight, g/mol:	382.271924
ΔH_f, kcal/mol:	-21.25
Dipole, Da:	2.45
IP(EA), eV:	-8.65(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[5,5-bis(hydroxymethyl)-2,8a-dimethyl-1,2,3,6,7,8-hexahydronaphthalen-1-yl]-3-(hydroxymethyl)pentyl] acetate

Drug info:

PubChemData

Smile

CC1(N(C(CO1)C2=CC=CC=C2)C3C(N(C3=O)CC4=CC=CC=C4)SC)C

DOS

IR

Vibrations