Geometry & MOs

Info

ID:	84722
PubChem CID:	49869445
Reduced:	O2N5H25C26 (1)
Stoich.:	A2B5C25D26 (1)
Weight, g/mol:	366.18559
ΔH_f, kcal/mol:	39.91
Dipole, Da:	4.57
IP(EA), eV:	-8.13(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(5-fluoropyridin-3-yl)phenyl]-5-methyl-2-(oxan-4-ylmethyl)imidazol-4-amine

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N3C=CC=C3C4(N2)CCN(CC4)C(=O)C5=CC=C(C=C5)N6C=CC=N6

DOS

IR

Vibrations