Geometry & MOs

Info

ID:	404850
PubChem CID:	135071406
Reduced:	BrN2H13C14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	335.188529
ΔH_f, kcal/mol:	69.89
Dipole, Da:	0.98
IP(EA), eV:	-8.59(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-5-(cyclohexen-1-yl)-3-[(2-morpholin-4-ylphenyl)methylidene]pent-4-yn-2-one

Drug info:

PubChemData

Smile

C=CCNC1=C(C=C(C=N1)C2=CC=CC=C2)Br

DOS

IR

Vibrations