Geometry & MOs

Info

ID:	396422
PubChem CID:	135028396
Reduced:	NOC19H19 (1)
Stoich.:	ABC19D19 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	38.82
Dipole, Da:	5.67
IP(EA), eV:	-8.76(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-butoxy-2-diazonio-2-(2-methylphenyl)ethenolate

Drug info:

PubChemData

Smile

C=CCC(=CNCC1=CC=CC=C1)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations