Geometry & MOs

Info

ID:	154612
PubChem CID:	56314083
Reduced:	BrF2O2N3H12C19 (1)
Stoich.:	AB2C2D3E12F19 (1)
Weight, g/mol:	454.207942
ΔH_f, kcal/mol:	-88.04
Dipole, Da:	5.79
IP(EA), eV:	-9.27(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)C2=CC(=CC(=C2)F)F)C(=O)NC3=NC=C(C=C3)Br

DOS

IR

Vibrations