Geometry & MOs

Info

ID:	270642
PubChem CID:	103637440
Reduced:	ClN2O3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	310.262028
ΔH_f, kcal/mol:	-139.22
Dipole, Da:	1.17
IP(EA), eV:	-9.25(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(cycloheptylamino)methyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CNCC2=CC=C(O2)Cl

DOS

IR

Vibrations