Geometry & MOs

Info

ID:	273970
PubChem CID:	103806189
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	350.043
ΔH_f, kcal/mol:	-3.06
Dipole, Da:	4.98
IP(EA), eV:	-9.43(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(2-aminoethyl)phenyl]methyl]-3-bromo-4-fluorobenzamide

Drug info:

PubChemData

Smile

C1CC2CC1C3C2C3C(=O)NCC4=CC=C(C=C4)CCN

DOS

IR

Vibrations