Geometry & MOs

Info

ID:	123000
PubChem CID:	50829691
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	455.232125
ΔH_f, kcal/mol:	-77.39
Dipole, Da:	5.17
IP(EA), eV:	-9.07(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CS1)N2C3=CC=CC=C3C(=O)N4CCCCC4C2=O

DOS

IR

Vibrations