Geometry & MOs

Info

ID:	82628
PubChem CID:	49856261
Reduced:	O2N5H21C22 (1)
Stoich.:	A2B5C21D22 (1)
Weight, g/mol:	385.153875
ΔH_f, kcal/mol:	65.0
Dipole, Da:	6.96
IP(EA), eV:	-8.27(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-2-(3-pyrimidin-5-ylphenyl)imidazol-4-amine

Drug info:

PubChemData

Smile

CC1=NC(N=C1N)(C2=CC(=C(C=C2)OC)OC)C3=CC=CC(=C3)C4=CN=CN=C4

DOS

IR

Vibrations