Geometry & MOs

Info

ID:	65613
PubChem CID:	46386677
Reduced:	ClO2N5C25H26 (1)
Stoich.:	AB2C5D25E26 (1)
Weight, g/mol:	473.198238
ΔH_f, kcal/mol:	2.39
Dipole, Da:	7.68
IP(EA), eV:	-8.54(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3-chlorophenyl)-5,6-dimethyl-N-[(2-methylphenyl)methyl]-4-pyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)CNC(=O)C2=NC3=C(C(=C(N3C4=CC(=CC=C4)Cl)C)C)C(=N2)N5CCCC5

DOS

IR

Vibrations