Geometry & MOs

Info

ID:	379019
PubChem CID:	134228898
Reduced:	ClO2N3C12H12 (1)
Stoich.:	AB2C3D12E12 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	30.56
Dipole, Da:	4.93
IP(EA), eV:	-9.1(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5Z)-3-ethenyl-N-[(1E)-3-ethoxy-2-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine

Drug info:

PubChemData

Smile

CC(=N/C(=C(\C)/C(=O)N=O)/C)C1=CC(=CN=C1)Cl

DOS

IR

Vibrations