Geometry & MOs

Info

ID:	329931
PubChem CID:	127246798
Reduced:	O2N4C19H26 (1)
Stoich.:	A2B4C19D26 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	-20.98
Dipole, Da:	6.22
IP(EA), eV:	-8.41(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(dimethylamino)pyridin-4-yl]pyrrolidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)N2CCCC2C3=CC(=NC=C3)N(C)C

DOS

IR

Vibrations