Geometry & MOs

Info

ID:	441098
PubChem CID:	135233110
Reduced:	N2O6C15H18 (1)
Stoich.:	A2B6C15D18 (1)
Weight, g/mol:	313.240565
ΔH_f, kcal/mol:	-164.62
Dipole, Da:	4.86
IP(EA), eV:	-9.43(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(E)-6-(but-1-en-2-ylamino)hex-5-en-2-yl]-2-methyl-6-methylidenecyclohexa-1,3-dien-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C=C(OC1=O)CCC/C=C/NC(=O)OC)N=O

DOS

IR

Vibrations