Geometry & MOs

Info

ID:	171624
PubChem CID:	75407471
Reduced:	BrOSN2H13C14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	338.163043
ΔH_f, kcal/mol:	36.12
Dipole, Da:	4.03
IP(EA), eV:	-9.27(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-methyl-4-(oxan-4-yloxy)phenyl]-3-pyridin-4-ylprop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)CCNC(=O)/C=C/C2=CSC(=C2)Br

DOS

IR

Vibrations