Geometry & MOs

Info

ID:	185278
PubChem CID:	77279720
Reduced:	C4H5N7 (1)
Stoich.:	A4B5C7 (1)
Weight, g/mol:	651.392374
ΔH_f, kcal/mol:	116.77
Dipole, Da:	3.56
IP(EA), eV:	-9.78(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate;2-ethylhexyl 3-(4-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C=1=C2C(=NC(N1)(N)N)N=NN2

DOS

IR

Vibrations