Geometry & MOs

Info

ID:	367620
PubChem CID:	127325110
Reduced:	O2N3C21H31 (1)
Stoich.:	A2B3C21D31 (1)
Weight, g/mol:	396.136845
ΔH_f, kcal/mol:	-91.27
Dipole, Da:	2.99
IP(EA), eV:	-9.33(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbonyl]piperazin-1-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CC(CC(=O)N1CCN(CC1)C(=O)CCC2CCCC2)C3=CN=CC=C3

DOS

IR

Vibrations