Geometry & MOs

Info

ID:	43209
PubChem CID:	10319591
Reduced:	N2O4H7C9 (2)
Stoich.:	A2B4C7D9 (2)
Weight, g/mol:	414.157957
ΔH_f, kcal/mol:	-128.41
Dipole, Da:	2.93
IP(EA), eV:	-9.63(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-3-(2-bicyclo[4.4.1]undeca-1(10),2,4,6,8-pentaenyl)-2-[[(E)-3-(4-nitrophenyl)prop-2-enylidene]amino]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(C=C2C=C(C(=O)OC2=C1OC)C(=O)NNC(=O)C3=CC=NC=C3)[N+](=O)[O-]

DOS

IR

Vibrations