Geometry & MOs

Info

ID:	56255
PubChem CID:	17422867
Reduced:	NOC6H7 (4)
Stoich.:	ABC6D7 (4)
Weight, g/mol:	349.110965
ΔH_f, kcal/mol:	-102.84
Dipole, Da:	2.57
IP(EA), eV:	-8.58(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1C(=O)N(C(=O)N1C2=CC=C(C=C2)C)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations