Geometry & MOs

Info

ID:	192872
PubChem CID:	78321835
Reduced:	O2N5C19H23 (1)
Stoich.:	A2B5C19D23 (1)
Weight, g/mol:	369.18009
ΔH_f, kcal/mol:	-0.79
Dipole, Da:	4.23
IP(EA), eV:	-8.37(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-4-methoxy-1-[6-(5-propan-2-yloxy-1H-indazol-3-yl)pyrimidin-4-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCO1)C2=NC=NC(=C2)C3=NNC4=C3C=C(C=C4)OC(C)C

DOS

IR

Vibrations