Geometry & MOs

Info

ID:	448935
PubChem CID:	135294573
Reduced:	ON2C10H18 (1)
Stoich.:	AB2C10D18 (1)
Weight, g/mol:	475.140214
ΔH_f, kcal/mol:	-27.12
Dipole, Da:	1.17
IP(EA), eV:	-8.7(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[2-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-2-(trifluoromethyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(CCOC)C1CC=C(C=N1)N

DOS

IR

Vibrations