Geometry & MOs

Info

ID:	329921
PubChem CID:	127246788
Reduced:	OSN4C17H22 (1)
Stoich.:	ABC4D17E22 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	3.65
Dipole, Da:	4.07
IP(EA), eV:	-8.32(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(dimethylamino)pyridin-4-yl]pyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCCC2C3=CC(=NC=C3)N(C)C

DOS

IR

Vibrations