Geometry & MOs

Info

ID:	330775
PubChem CID:	127248182
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	361.19026
ΔH_f, kcal/mol:	0.08
Dipole, Da:	2.42
IP(EA), eV:	-8.61(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-[2-(benzylamino)pyridin-4-yl]-1H-pyrazol-5-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(C)(C)CNC1=NC=CC(=C1)C2=C(NN=C2)C3CCN(C3)C(=O)C4CCC4

DOS

IR

Vibrations