Geometry & MOs

Info

ID:	232141
PubChem CID:	87575593
Reduced:	FO3N4C26H31 (1)
Stoich.:	AB3C4D26E31 (1)
Weight, g/mol:	336.146537
ΔH_f, kcal/mol:	-140.0
Dipole, Da:	8.69
IP(EA), eV:	-8.5(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-4-chloro-7-[(5-ethyl-1,4-dimethylpyrazol-3-yl)methyl]-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol

Drug info:

PubChemData

Smile

CCN(CC)CCNC(=O)CCC1=C(NC2=C1C(=O)CCC2)/C=C/3\C4=C(C=CC(=C4)F)NC3=O

DOS

IR

Vibrations