Geometry & MOs

Info

ID:	190688
PubChem CID:	78042448
Reduced:	ClPN5O6C25H33 (1)
Stoich.:	ABC5D6E25F33 (1)
Weight, g/mol:	328.164774
ΔH_f, kcal/mol:	-284.59
Dipole, Da:	1.31
IP(EA), eV:	-8.6(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[4-amino-5-(1H-pyrazol-5-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-methyloxolan-2-yl]ethanol

Drug info:

PubChemData

Smile

CC1CC(OC1N2C=CC3=C(N=CN=C32)N)C(C)OP(=O)(NC(C)C(=O)OC(C)C)OC4=CC=CC=C4Cl

DOS

IR

Vibrations