Geometry & MOs

Info

ID:	424456
PubChem CID:	135122728
Reduced:	ON2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	379.150761
ΔH_f, kcal/mol:	-16.89
Dipole, Da:	4.43
IP(EA), eV:	-8.49(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[5-(dimethylamino)-6-[N-methyl-4-(trifluoromethoxy)anilino]pyridin-3-yl]-2-methylprop-2-enal

Drug info:

PubChemData

Smile

C[C@@H](CN1CCC2=C1C=CC(=C2)CN)C=O

DOS

IR

Vibrations