Geometry & MOs

Info

ID:	156871
PubChem CID:	56394810
Reduced:	ClN3O4C25H32 (1)
Stoich.:	AB3C4D25E32 (1)
Weight, g/mol:	409.166938
ΔH_f, kcal/mol:	-145.12
Dipole, Da:	5.94
IP(EA), eV:	-8.47(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(5-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)N2CCC(C2)CNC(=O)C3=CC(=C(C=C3)OCC(=O)NC(C)C)OC

DOS

IR

Vibrations