Geometry & MOs

Info

ID:	330776
PubChem CID:	127248183
Reduced:	ON5C21H23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	418.211724
ΔH_f, kcal/mol:	38.71
Dipole, Da:	4.48
IP(EA), eV:	-8.76(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)N1CCC(C1)C2=C(C=NN2)C3=CC(=NC=C3)NCC4=CC=CC=C4

DOS

IR

Vibrations