Geometry & MOs

Info

ID:	330059
PubChem CID:	127247046
Reduced:	ON6C17H24 (1)
Stoich.:	AB6C17D24 (1)
Weight, g/mol:	356.23246
ΔH_f, kcal/mol:	18.24
Dipole, Da:	6.94
IP(EA), eV:	-8.81(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-4-(3,5-dimethylpyrazol-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)CC(=O)N2CCCC2C3=CN=CC(=N3)N(C)C

DOS

IR

Vibrations