Geometry & MOs

Info

ID:	307623
PubChem CID:	125307806
Reduced:	N2O2C21H22 (1)
Stoich.:	A2B2C21D22 (1)
Weight, g/mol:	364.26136
ΔH_f, kcal/mol:	-1.4
Dipole, Da:	3.21
IP(EA), eV:	-8.76(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-5-[(1S,2R,4aR,8aR)-2-formyloxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoate

Drug info:

PubChemData

Smile

CCN(C1=CC(=C(C=C1)C)C)C(=O)C(=O)C2=C3C=CC=CC3=N[C@@H]2C

DOS

IR

Vibrations