Geometry & MOs

Info

ID:	363321
PubChem CID:	127310833
Reduced:	OSN6C16H18 (1)
Stoich.:	ABC6D16E18 (1)
Weight, g/mol:	387.209282
ΔH_f, kcal/mol:	60.14
Dipole, Da:	5.37
IP(EA), eV:	-9.28(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NC=C(S2)C(=O)N3CCCCC3C4=NC=CN4

DOS

IR

Vibrations