Geometry & MOs

Info

ID:	419129
PubChem CID:	135107565
Reduced:	N4O5C23H30 (1)
Stoich.:	A4B5C23D30 (1)
Weight, g/mol:	364.164774
ΔH_f, kcal/mol:	-214.16
Dipole, Da:	4.87
IP(EA), eV:	-8.99(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(2-pyridin-2-ylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

C1C[C@@]2(CCN(C[C@H]2NC1)C(=O)C3=CC4=C(C=C3)N(C(=O)N4)C5CCC(CC5)O)C(=O)O

DOS

IR

Vibrations