Geometry & MOs

Info

ID:	362583
PubChem CID:	127308315
Reduced:	OSF2N7C12H13 (1)
Stoich.:	ABC2D7E12F13 (1)
Weight, g/mol:	374.188881
ΔH_f, kcal/mol:	-8.95
Dipole, Da:	8.74
IP(EA), eV:	-9.79(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-tert-butylpyrimidin-5-yl)-4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)C(=O)NC4=NN=C(S4)C(F)F

DOS

IR

Vibrations