Geometry & MOs

Info

ID:	444963
PubChem CID:	135264056
Reduced:	N2O4C13H14 (1)
Stoich.:	A2B4C13D14 (1)
Weight, g/mol:	220.182715
ΔH_f, kcal/mol:	-129.8
Dipole, Da:	5.87
IP(EA), eV:	-9.8(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[(6S)-2,2,6-trimethylcyclohex-3-en-1-yl]pent-1-en-3-one

Drug info:

PubChemData

Smile

COC(=O)/C=C/C1=NC2=C(CCN(C2)C(=O)O)C=C1

DOS

IR

Vibrations