Geometry & MOs

Info

ID:	146361
PubChem CID:	53676223
Reduced:	S2O5N6C13H14 (1)
Stoich.:	A2B5C6D13E14 (1)
Weight, g/mol:	286.229666
ΔH_f, kcal/mol:	-66.64
Dipole, Da:	10.02
IP(EA), eV:	-9.48(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6-trienal

Drug info:

PubChemData

Smile

CC1C=C(N2[C@@H](S1)C(C2=O)NC(=O)C(=NOC)C3=NSC(=N3)N)C(=O)O

DOS

IR

Vibrations