Geometry & MOs

Info

ID:	24802
PubChem CID:	613724
Reduced:	O4N5C19H23 (1)
Stoich.:	A4B5C19D23 (1)
Weight, g/mol:	385.175004
ΔH_f, kcal/mol:	-78.02
Dipole, Da:	2.99
IP(EA), eV:	-8.7(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-diamino-7-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1C2=C(CN1C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC)C(=NC(=N2)N)N

DOS

IR

Vibrations