Geometry & MOs

Info

ID:	380185
PubChem CID:	134970539
Reduced:	NO3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	336.266445
ΔH_f, kcal/mol:	-146.14
Dipole, Da:	2.95
IP(EA), eV:	-9.01(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,4aR)-1,4a,6-trimethyl-5-(4-methyl-3-oxopentyl)-2,3,4,5,6,7,8,8a-octahydronaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C\1/CC[C@H](N1)CO

DOS

IR

Vibrations