Geometry & MOs

Info

ID:	330058
PubChem CID:	127247045
Reduced:	ON5C16H21 (1)
Stoich.:	AB5C16D21 (1)
Weight, g/mol:	328.201159
ΔH_f, kcal/mol:	24.38
Dipole, Da:	1.41
IP(EA), eV:	-8.61(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone

Drug info:

PubChemData

Smile

CN1C=CC=C1C(=O)N2CCCC2C3=CN=CC(=N3)N(C)C

DOS

IR

Vibrations