Geometry & MOs

Info

ID:	305568
PubChem CID:	124960397
Reduced:	O2N5C25H37 (1)
Stoich.:	A2B5C25D37 (1)
Weight, g/mol:	321.125946
ΔH_f, kcal/mol:	-54.05
Dipole, Da:	3.19
IP(EA), eV:	-8.77(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]pyrimidine

Drug info:

PubChemData

Smile

CCN(CC(=O)NC1=C(NN=C1C)C)[C@H]2CCOC3(C2)CCN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations