Geometry & MOs

Info

ID:	446347
PubChem CID:	135274264
Reduced:	NH25C35 (1)
Stoich.:	AB25C35 (1)
Weight, g/mol:	182.094294
ΔH_f, kcal/mol:	155.63
Dipole, Da:	0.58
IP(EA), eV:	-8.19(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3E,5E)-3,6-dimethyl-7-oxohepta-3,5-dienoate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC3=C2C(=CC=C3)C4=C1C5=C(C=C4)C6=CC=CC=C6N5C7=CC=CC8=CC=CC=C87)C

DOS

IR

Vibrations