Geometry & MOs

Info

ID:	243165
PubChem CID:	99216231
Reduced:	NO6C22H25 (1)
Stoich.:	AB6C22D25 (1)
Weight, g/mol:	378.241962
ΔH_f, kcal/mol:	-200.09
Dipole, Da:	2.47
IP(EA), eV:	-8.82(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(cyclopropylamino)-N-[[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]methyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(C[C@@H]1COC2=CC=CC=C2O1)C(=O)C3=CC(=CC=C3)OCC(=O)OCC

DOS

IR

Vibrations