Geometry & MOs

Info

ID:	182396
PubChem CID:	76884304
Reduced:	O3N4C27H30 (1)
Stoich.:	A3B4C27D30 (1)
Weight, g/mol:	420.01433
ΔH_f, kcal/mol:	-49.52
Dipole, Da:	8.82
IP(EA), eV:	-8.83(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromothiophen-2-yl)-N-[4-(morpholine-4-carbonyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC(=O)NC3=CC=C(C=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations