Geometry & MOs

Info

ID:	154110
PubChem CID:	56313499
Reduced:	FN3O3C25H30 (1)
Stoich.:	AB3C3D25E30 (1)
Weight, g/mol:	405.166411
ΔH_f, kcal/mol:	-122.62
Dipole, Da:	5.4
IP(EA), eV:	-9.38(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-pyridin-4-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC(C)C(C)NC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations