Geometry & MOs

Info

ID:	83292
PubChem CID:	49857414
Reduced:	ON2C15H17 (2)
Stoich.:	AB2C15D17 (2)
Weight, g/mol:	447.19582
ΔH_f, kcal/mol:	22.86
Dipole, Da:	3.57
IP(EA), eV:	-8.64(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-amino-2-(4-methoxy-3,5-dimethylphenyl)-5-methylimidazol-2-yl]-2-(2-fluoro-5-methoxyphenyl)phenol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)C2(N=C(C(=N2)N)C)C3=CC=CC(=C3)C4=CC=CC=C4CN5CCOCC5

DOS

IR

Vibrations