Geometry & MOs

Info

ID:	89814
PubChem CID:	49964822
Reduced:	N3C13H19 (1)
Stoich.:	A3B13C19 (1)
Weight, g/mol:	412.153541
ΔH_f, kcal/mol:	33.62
Dipole, Da:	3.32
IP(EA), eV:	-8.71(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-1,3-dimethyl-6-quinolin-8-ylpyrrolo[3,4-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=NN2C(=C1)N=C(C(=C2C(C)(C)C)C)C

DOS

IR

Vibrations