Geometry & MOs

Info

ID:	425951
PubChem CID:	135133533
Reduced:	ON6H20C22 (1)
Stoich.:	AB6C20D22 (1)
Weight, g/mol:	429.154938
ΔH_f, kcal/mol:	113.52
Dipole, Da:	6.39
IP(EA), eV:	-8.18(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-amino-4-(4-imidazol-1-ylphenyl)-1-methyl-3-pyrazin-2-yl-4H-pyrano[2,3-c]pyrazole-5-carboxylate

Drug info:

PubChemData

Smile

CN1C2=NC(=C(C(C2=C(N1)C3=CC=CC=C3)C4=CC=C(C=C4)N5C=CN=C5)O)N

DOS

IR

Vibrations