Geometry & MOs

Info

ID:	415952
PubChem CID:	135088954
Reduced:	ON3C22H29 (1)
Stoich.:	AB3C22D29 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	-2.27
Dipole, Da:	2.67
IP(EA), eV:	-8.2(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

piperidin-1-yl-[2-[(1-propylpyrazol-4-yl)methylamino]pyridin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2CCC(CC2)N[C@H]3COC[C@H]3CC4=CC=NC=C4

DOS

IR

Vibrations