Geometry & MOs

Info

ID:	381789
PubChem CID:	134972618
Reduced:	NOH23C51 (1)
Stoich.:	ABC23D51 (1)
Weight, g/mol:	452.241018
ΔH_f, kcal/mol:	418.72
Dipole, Da:	6.2
IP(EA), eV:	-8.27(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetraethyl (6E)-dodeca-1,6,11-triene-3,3,8,8-tetracarboxylate

Drug info:

Smile

CC1=CN(C23C4=C5C=CC6=C7C=CC8=C9C=CC%10=C%11C=CC%12=C(C2(O1)C1=C2C%13=C(C%10=C9C9=C%13C%10=C(C7=C89)C6=C5C3=C%102)C%11=C%121)C=C4)C(C)C1=CC=CC=C1

DOS

IR

Vibrations