Geometry & MOs

Info

ID:	368267
PubChem CID:	127327841
Reduced:	O2N4C23H32 (1)
Stoich.:	A2B4C23D32 (1)
Weight, g/mol:	373.284161
ΔH_f, kcal/mol:	-46.85
Dipole, Da:	4.43
IP(EA), eV:	-8.76(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)NCC3(CCCCC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations