Geometry & MOs

Info

ID:	172388
PubChem CID:	75503473
Reduced:	ClO2N3H16C17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	-32.93
Dipole, Da:	4.38
IP(EA), eV:	-9.83(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(1H-imidazol-2-ylmethylamino)methyl]-4-methylpiperidine-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(C(C(=O)N1)C2=CC=CC=C2Cl)C(=O)CC3=CN=CC=C3

DOS

IR

Vibrations