Geometry & MOs

Info

ID:	306129
PubChem CID:	125001697
Reduced:	N3O3C20H23 (1)
Stoich.:	A3B3C20D23 (1)
Weight, g/mol:	299.17461
ΔH_f, kcal/mol:	-79.81
Dipole, Da:	6.4
IP(EA), eV:	-8.81(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NCC1=CN=C(C=C1)[C@H]2CCCN2C(=O)COC3=CC=CC=C3

DOS

IR

Vibrations