Geometry & MOs

Info

ID:	39178
PubChem CID:	8139874
Reduced:	OF2N2C17H19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	304.13872
ΔH_f, kcal/mol:	-70.75
Dipole, Da:	2.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.002689
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3,4-difluorobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations