Geometry & MOs

Info

ID:	372899
PubChem CID:	131306722
Reduced:	BrON2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	237.08235
ΔH_f, kcal/mol:	-5.96
Dipole, Da:	4.87
IP(EA), eV:	-9.16(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-methyl-3-(5-morpholin-4-ylthiophen-2-yl)prop-2-enal

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)Br)C(CC#N)N)O

DOS

IR

Vibrations