Geometry & MOs

Info

ID:	447887
PubChem CID:	135286584
Reduced:	FON7H26C30 (1)
Stoich.:	ABC7D26E30 (1)
Weight, g/mol:	235.077933
ΔH_f, kcal/mol:	95.05
Dipole, Da:	10.97
IP(EA), eV:	-8.88(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(dimethylamino)-2-(2,4-dimethyl-1,3-thiazole-5-carbonyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)NC1=CN=CC(=C1)C2=NC=C3C(=C2)/C(=C\4/C=C5C(=CN=CC5=N4)C6=CC(=CC=C6)F)/NN3

DOS

IR

Vibrations