Geometry & MOs

Info

ID:	201351
PubChem CID:	79527389
Reduced:	OSN2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	274.204513
ΔH_f, kcal/mol:	-67.55
Dipole, Da:	2.9
IP(EA), eV:	-8.73(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(aminomethyl)-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1CN)C(=O)N2CCSCC2

DOS

IR

Vibrations