Geometry & MOs

Info

ID:	422983
PubChem CID:	135118726
Reduced:	O2N5C15H19 (1)
Stoich.:	A2B5C15D19 (1)
Weight, g/mol:	299.149458
ΔH_f, kcal/mol:	-31.59
Dipole, Da:	6.35
IP(EA), eV:	-8.89(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-2-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C3=C(C=CC=N3)C(=O)N

DOS

IR

Vibrations