Geometry & MOs

Info

ID:	197639
PubChem CID:	78983856
Reduced:	ON3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	332.0558
ΔH_f, kcal/mol:	3.87
Dipole, Da:	8.46
IP(EA), eV:	-9.09(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromothiophen-2-yl)methylamino]-N-(3-methylbutyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C#N)NC(=O)N(C)C

DOS

IR

Vibrations