Geometry & MOs

Info

ID:	232698
PubChem CID:	87576743
Reduced:	ClOSiN4C13H23 (1)
Stoich.:	ABCD4E13F23 (1)
Weight, g/mol:	399.157436
ΔH_f, kcal/mol:	-83.26
Dipole, Da:	2.73
IP(EA), eV:	-8.87(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-4-chloro-7-[(4-ethyl-3,5-dimethylpyridin-2-yl)methyl]-5-(1,3,4-oxadiazol-2-ylmethyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1CNC2=C1C(=NC(=N2)N)Cl

DOS

IR

Vibrations