Geometry & MOs

Info

ID:	405628
PubChem CID:	135074732
Reduced:	N2O4C13H19 (1)
Stoich.:	A2B4C13D19 (1)
Weight, g/mol:	419.158017
ΔH_f, kcal/mol:	-113.9
Dipole, Da:	7.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764802
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(E)-4-methoxycarbonyloxybut-2-enyl]-2-[(5-methoxy-1H-indol-3-yl)methyl]propanedioate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(\CCC(=O)CCCC=C)/O)/[N+]#N

DOS

IR

Vibrations