Geometry & MOs

Info

ID:	405107
PubChem CID:	135072530
Reduced:	BrN3H12C18 (1)
Stoich.:	AB3C12D18 (1)
Weight, g/mol:	352.167459
ΔH_f, kcal/mol:	115.48
Dipole, Da:	2.08
IP(EA), eV:	-8.93(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-6-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]cyclohex-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C(=C2)Br)C3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations