Geometry & MOs

Info

ID:	342644
PubChem CID:	127265804
Reduced:	BrNO2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	337.06774
ΔH_f, kcal/mol:	-49.44
Dipole, Da:	2.49
IP(EA), eV:	-9.35(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-bromophenyl)prop-2-enyl]-N-methyloxane-4-carboxamide

Drug info:

PubChemData

Smile

CC=CCC(CO)NCC1=CC=C(O1)Br

DOS

IR

Vibrations