Geometry & MOs

Info

ID:	426787
PubChem CID:	135153868
Reduced:	NOC6H8 (2)
Stoich.:	ABC6D8 (2)
Weight, g/mol:	273.147727
ΔH_f, kcal/mol:	-57.96
Dipole, Da:	2.04
IP(EA), eV:	-8.45(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-amino-4-cyanoanilino)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CC(C1)NC2=CC=CC=C2N

DOS

IR

Vibrations