Geometry & MOs

Info

ID:

331602

PubChem CID:

127249611

Reduced:

O3N6C24H26 (1)

Stoich.:

A3B6C24D26 (1)

Weight, g/mol:

446.206639

ΔHf, kcal/mol:

-20.16

Dipole, Da:

4.86

IP(EA), eV:

 -9.59(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(cyclopropylmethyl)-2-[1-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=C2CC(=O)N(C2=NC(=N1)C3CCN(C3)C(=O)CCC4=NC(=NO4)C)CC5=CC=CC=C5

DOS

IR

Vibrations