Geometry & MOs

Info

ID:	399031
PubChem CID:	135037161
Reduced:	N2O2C7H14 (1)
Stoich.:	A2B2C7D14 (1)
Weight, g/mol:	252.172545
ΔH_f, kcal/mol:	-66.46
Dipole, Da:	1.06
IP(EA), eV:	-9.39(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4aR,8aR)-2-hydroxy-4a,7,7-trimethyl-3,4,5,6,8,8a-hexahydronaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C(=C)C(=O)OC)NN

DOS

IR

Vibrations