Geometry & MOs

Info

ID:	436561
PubChem CID:	135205347
Reduced:	NO7C22H27 (1)
Stoich.:	AB7C22D27 (1)
Weight, g/mol:	391.094836
ΔH_f, kcal/mol:	-278.78
Dipole, Da:	3.13
IP(EA), eV:	-9.69(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-5-(4-chlorophenyl)-2-imidazo[1,2-a]pyrazin-6-yl-6,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=CC(=CC=C2)C(=O)NC)[C@H]([C@@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O)O

DOS

IR

Vibrations