Geometry & MOs

Info

ID:	201046
PubChem CID:	79481312
Reduced:	BrNSC12H20 (1)
Stoich.:	ABCD12E20 (1)
Weight, g/mol:	291.231063
ΔH_f, kcal/mol:	2.23
Dipole, Da:	1.49
IP(EA), eV:	-8.71(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-amino-2-methylphenyl)-3-[ethyl(2-methylbutyl)amino]propanamide

Drug info:

PubChemData

Smile

CCC(C)CN(CC)CC1=C(C=CS1)Br

DOS

IR

Vibrations