Geometry & MOs

Info

ID:	153402
PubChem CID:	56312593
Reduced:	O2F3N4C21H27 (1)
Stoich.:	A2B3C4D21E27 (1)
Weight, g/mol:	439.208276
ΔH_f, kcal/mol:	-190.68
Dipole, Da:	4.15
IP(EA), eV:	-8.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(diethylamino)pyridin-3-yl]methyl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(C)N1C(=C(C=N1)C(=O)N2CCN(CC2)CCC3=CC=C(C=C3)OC)C(F)(F)F

DOS

IR

Vibrations