Geometry & MOs

Info

ID:	153805
PubChem CID:	56313119
Reduced:	F2O2N3C25H25 (1)
Stoich.:	A2B2C3D25E25 (1)
Weight, g/mol:	456.203605
ΔH_f, kcal/mol:	-66.11
Dipole, Da:	2.6
IP(EA), eV:	-8.85(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide

Drug info:

PubChemData

Smile

CN(C)CCN(CC1=CC=C(C=C1)F)C(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations