Geometry & MOs

Info

ID:	330721
PubChem CID:	127248128
Reduced:	O2N5C25H35 (1)
Stoich.:	A2B5C25D35 (1)
Weight, g/mol:	419.232125
ΔH_f, kcal/mol:	-39.59
Dipole, Da:	4.28
IP(EA), eV:	-8.85(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1CCC(C1)C2=C(C=NN2C3=CC=CC=C3)CNC(=O)C4CC(=O)N(C4)C(C)C

DOS

IR

Vibrations