Geometry & MOs

Info

ID:	398472
PubChem CID:	135033430
Reduced:	N2O3H16C23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	-33.42
Dipole, Da:	6.35
IP(EA), eV:	-8.77(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-cyano-2-methylidenehept-3-enyl) benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)NC3=C2C(=O)N(C4=CC=CC=C43)C5=CC=CC=C5

DOS

IR

Vibrations