Geometry & MOs

Info

ID:	290192
PubChem CID:	104418125
Reduced:	ON4C16H26 (1)
Stoich.:	AB4C16D26 (1)
Weight, g/mol:	330.0743
ΔH_f, kcal/mol:	-39.42
Dipole, Da:	4.53
IP(EA), eV:	-8.74(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)CCNC1CCN(CC1)C2=CC=NC=C2

DOS

IR

Vibrations