Geometry & MOs

Info

ID:	197513
PubChem CID:	78973987
Reduced:	BrSN2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	323.08848
ΔH_f, kcal/mol:	57.28
Dipole, Da:	4.85
IP(EA), eV:	-9.13(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-2-[cyclopropyl(3-methylbutyl)amino]ethanone

Drug info:

PubChemData

Smile

CC1=C(SC=C1)C(C2=CC(=CN=C2)Br)NC

DOS

IR

Vibrations