Geometry & MOs

Info

ID:	207138
PubChem CID:	80352328
Reduced:	NOC8H15 (2)
Stoich.:	ABC8D15 (2)
Weight, g/mol:	282.230728
ΔH_f, kcal/mol:	-123.55
Dipole, Da:	2.88
IP(EA), eV:	-8.85(0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(aminomethyl)-5-propylcyclohexyl]pyrrolidine-3-carboxylate

Drug info:

PubChemData

Smile

CCC1CCC(C(C1)N2CC(C(C2)C(=O)OC)C)CN

DOS

IR

Vibrations