Geometry & MOs

Info

ID:	39123
PubChem CID:	8139726
Reduced:	FN2O2C20H24 (1)
Stoich.:	AB2C2D20E24 (1)
Weight, g/mol:	342.174356
ΔH_f, kcal/mol:	-92.56
Dipole, Da:	5.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.098516
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(4-fluorophenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations