Geometry & MOs

Info

ID:	426798
PubChem CID:	135153903
Reduced:	NOC5H5 (3)
Stoich.:	ABC5D5 (3)
Weight, g/mol:	248.152478
ΔH_f, kcal/mol:	-85.87
Dipole, Da:	7.04
IP(EA), eV:	-9.02(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-aminoanilino)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)O)N2C3=C(C=C(C=C3)C#N)NC2=O

DOS

IR

Vibrations