Geometry & MOs

Info

ID:	368258
PubChem CID:	127327812
Reduced:	FNOC9H9 (2)
Stoich.:	ABCD9E9 (2)
Weight, g/mol:	373.284161
ΔH_f, kcal/mol:	-116.54
Dipole, Da:	3.13
IP(EA), eV:	-9.19(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C2=C(C1)OC=C2)NC(=O)NC3CC3C4=C(C=CC=C4F)F

DOS

IR

Vibrations