Geometry & MOs

Info

ID:	330720
PubChem CID:	127248127
Reduced:	FO2N4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	437.279075
ΔH_f, kcal/mol:	-49.57
Dipole, Da:	5.99
IP(EA), eV:	-8.98(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-oxo-N-[[1-phenyl-5-(1-propan-2-ylpyrrolidin-3-yl)pyrazol-4-yl]methyl]-1-propan-2-ylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NCC1=C(N(N=C1)C2=CC=C(C=C2)OC)C3CCN(C3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations