Geometry & MOs

Info

ID:	353054
PubChem CID:	127284204
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	344.140389
ΔH_f, kcal/mol:	-78.96
Dipole, Da:	7.38
IP(EA), eV:	-8.73(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)CCNC(=O)C2CCC3=CC=CC=C23

DOS

IR

Vibrations