Geometry & MOs

Info

ID:	217254
PubChem CID:	85087507
Reduced:	OCl2N2H16C18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	346.05684
ΔH_f, kcal/mol:	14.23
Dipole, Da:	5.13
IP(EA), eV:	-9.84(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-bromo-1-(methoxymethoxy)-1-phenylbut-3-en-2-yl]benzene

Drug info:

PubChemData

Smile

CC1=NC(=O)C2C=C(C(=CC2=N1)C(C)C)C3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations