Geometry & MOs

Info

ID:	333844
PubChem CID:	127252396
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	285.195346
ΔH_f, kcal/mol:	-12.1
Dipole, Da:	2.54
IP(EA), eV:	-9.31(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[[3-methyl-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CN1C=CN=C1C(=O)N2CCOCC(C2)CC3=NC=CC=N3

DOS

IR

Vibrations