Geometry & MOs

Info

ID:	82630
PubChem CID:	49856263
Reduced:	FO2N4H19C23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	414.169191
ΔH_f, kcal/mol:	10.41
Dipole, Da:	5.91
IP(EA), eV:	-8.6(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(5-methoxypyridin-3-yl)phenyl]-5-methylimidazol-4-amine

Drug info:

PubChemData

Smile

CC1=NC(N=C1N)(C2=CC3=C(C=C2)OCCO3)C4=CC=CC(=C4)C5=CC(=CN=C5)F

DOS

IR

Vibrations