Geometry & MOs

Info

ID:	290193
PubChem CID:	104418148
Reduced:	BrFON2C14H20 (1)
Stoich.:	ABCD2E14F20 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-92.87
Dipole, Da:	2.66
IP(EA), eV:	-9.64(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-hydroxyphenyl)ethylamino]-N-propan-2-ylpropanamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCNC(C)C1=C(C=C(C=C1)Br)F

DOS

IR

Vibrations