Geometry & MOs

Info

ID:	342874
PubChem CID:	127266037
Reduced:	NOC10H14 (2)
Stoich.:	ABC10D14 (2)
Weight, g/mol:	330.076217
ΔH_f, kcal/mol:	-97.66
Dipole, Da:	4.8
IP(EA), eV:	-8.9(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylpyridin-2-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)N2CC3(CCOCC3)[C@H]4[C@@H]2CCC4

DOS

IR

Vibrations