Geometry & MOs

Info

ID:	363318
PubChem CID:	127310830
Reduced:	OSN6C19H28 (1)
Stoich.:	ABC6D19E28 (1)
Weight, g/mol:	342.12628
ΔH_f, kcal/mol:	19.84
Dipole, Da:	5.27
IP(EA), eV:	-8.52(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC(CC1)N2CCC(CC2)NC(=O)C3=CN=C(S3)C4=CN(N=C4)C

DOS

IR

Vibrations