Geometry & MOs

Info

ID:	329923
PubChem CID:	127246790
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	28.78
Dipole, Da:	3.9
IP(EA), eV:	-8.41(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(dimethylamino)pyridin-4-yl]pyrrolidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)C(=O)N3CCCC3C4=CC(=NC=C4)N(C)C

DOS

IR

Vibrations