Geometry & MOs

Info

ID:	441202
PubChem CID:	135233603
Reduced:	NO6C17H23 (1)
Stoich.:	AB6C17D23 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	-248.39
Dipole, Da:	6.21
IP(EA), eV:	-9.43(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-but-1-en-2-yl-3-methyl-5-[(E)-5-(methylamino)pent-4-enyl]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C=C(OC1=O)C(C)CC/C=C/NC(=O)OC)CO

DOS

IR

Vibrations