Geometry & MOs

Info

ID:	197287
PubChem CID:	78947639
Reduced:	OSN3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	299.05209
ΔH_f, kcal/mol:	-4.61
Dipole, Da:	1.19
IP(EA), eV:	-8.88(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromophenyl)methyl]-4-ethoxybutanamide

Drug info:

PubChemData

Smile

CC1=C(SC=C1)CNC(=O)C2=C(NN=C2C)C

DOS

IR

Vibrations