Geometry & MOs

Info

ID:	39333
PubChem CID:	8140303
Reduced:	BrFN2O2C18H21 (1)
Stoich.:	ABC2D2E18F21 (1)
Weight, g/mol:	332.129156
ΔH_f, kcal/mol:	-59.01
Dipole, Da:	4.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.994650
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)COC2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations