Geometry & MOs

Info

ID:	326338
PubChem CID:	126687354
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-107.28
Dipole, Da:	3.58
IP(EA), eV:	-8.19(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,7aR)-3,6-dimethyl-2,4,5,6,7,7a-hexahydro-1-benzofuran-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)N2C[C@H]([C@H](C2)CO)CCCC3=CC=CC=C3

DOS

IR

Vibrations