Geometry & MOs

Info

ID:	425024
PubChem CID:	135124893
Reduced:	N2O3C13H24 (1)
Stoich.:	A2B3C13D24 (1)
Weight, g/mol:	527.160281
ΔH_f, kcal/mol:	-170.12
Dipole, Da:	6.76
IP(EA), eV:	-9.33(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[5-[2-[2-methyl-5-[[4-(trifluoromethyl)pyridin-2-yl]carbamoyl]phenyl]ethynyl]-1,3-thiazol-2-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(C(=O)CN(C1)C(=O)OC(C)(C)C)C)C

DOS

IR

Vibrations