Geometry & MOs

Info

ID:	306221
PubChem CID:	125002903
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	356.23246
ΔH_f, kcal/mol:	-9.04
Dipole, Da:	4.45
IP(EA), eV:	-9.05(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2R)-2-[6-(dimethylamino)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CC(=O)NC1=NC=CC(=C1)C(=O)N2CCC[C@H]2C3=CN=CC(=N3)NC

DOS

IR

Vibrations