Geometry & MOs

Info

ID:	178874
PubChem CID:	76394515
Reduced:	FON5H22C23 (1)
Stoich.:	ABC5D22E23 (1)
Weight, g/mol:	448.206325
ΔH_f, kcal/mol:	33.98
Dipole, Da:	7.21
IP(EA), eV:	-8.43(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-fluorophenyl)ethyl]-5-[4-(4-methylimidazol-1-yl)-3-phenylphenyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC1=CN(C=N1)C2=C(C=C(C=C2)C3=NC=C(C=N3)NC(C)C4=CC=C(C=C4)F)OC

DOS

IR

Vibrations