Geometry & MOs

Info

ID:	448736
PubChem CID:	135293124
Reduced:	N3O6C14H17 (1)
Stoich.:	A3B6C14D17 (1)
Weight, g/mol:	316.203845
ΔH_f, kcal/mol:	-176.98
Dipole, Da:	2.61
IP(EA), eV:	-9.78(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-formylcyclohexa-1,4-diene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C(C)(C)C(=O)ON1C(=O)CCC1=O)NN2C(=O)C=CC2=O

DOS

IR

Vibrations