Geometry & MOs

Info

ID:	199996
PubChem CID:	79329576
Reduced:	N2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	259.00303
ΔH_f, kcal/mol:	37.55
Dipole, Da:	1.85
IP(EA), eV:	-8.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromothiophen-2-yl)methylidene]-N-methylbutan-1-amine

Drug info:

PubChemData

Smile

CCC(=CC1=NC2=CC=CC=C2C=C1)CNC(C)C

DOS

IR

Vibrations