Geometry & MOs

Info

ID:	355851
PubChem CID:	127290703
Reduced:	OSN6C15H22 (1)
Stoich.:	ABC6D15E22 (1)
Weight, g/mol:	374.188881
ΔH_f, kcal/mol:	25.92
Dipole, Da:	3.58
IP(EA), eV:	-8.74(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-methylpyrazol-4-yl)methyl]-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)N2CCN(CC2)CC3=CN(N=C3)C)C

DOS

IR

Vibrations