Geometry & MOs

Info

ID:	197640
PubChem CID:	78983857
Reduced:	BrOSN2C13H21 (1)
Stoich.:	ABCD2E13F21 (1)
Weight, g/mol:	332.0558
ΔH_f, kcal/mol:	-41.86
Dipole, Da:	3.94
IP(EA), eV:	-9.07(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-bromothiophen-2-yl)methylamino]-N-pentan-3-ylpropanamide

Drug info:

PubChemData

Smile

CC(C)CCNC(=O)C(C)NCC1=C(C=CS1)Br

DOS

IR

Vibrations