Geometry & MOs

Info

ID:	320528
PubChem CID:	126661583
Reduced:	NOC12H17 (1)
Stoich.:	ABC12D17 (1)
Weight, g/mol:	414.163809
ΔH_f, kcal/mol:	1.34
Dipole, Da:	4.0
IP(EA), eV:	-9.07(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-fluoro-2-[4-methyl-4-(methylamino)piperidin-1-yl]phenyl]-2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C/C=C\C(=C/C)\C(=N/C(=C\C)/C=O)C

DOS

IR

Vibrations