Geometry & MOs

Info

ID:	342274
PubChem CID:	127265051
Reduced:	N2O3C18H24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	314.99286
ΔH_f, kcal/mol:	-80.47
Dipole, Da:	6.45
IP(EA), eV:	-8.98(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromothiophen-2-yl)-N-(oxan-3-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(=CC(=O)NC(C#N)C1=C(C(=CC=C1)OC)OC)C(C)(C)C

DOS

IR

Vibrations