Geometry & MOs

Info

ID:	190668
PubChem CID:	78039064
Reduced:	ClO3C25H31 (1)
Stoich.:	AB3C25D31 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-145.91
Dipole, Da:	3.06
IP(EA), eV:	-8.86(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-[1-(2-methylhydrazinyl)prop-1-enyl]phenyl]propanoylamino]cyclohexene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1CC(C(C(C1C)C)OC(=O)C)C2=CC(=C(C=C2)Cl)CC3=CC=C(C=C3)O

DOS

IR

Vibrations