Geometry & MOs

Info

ID:	332483
PubChem CID:	127250769
Reduced:	ClN4O4C21H27 (1)
Stoich.:	AB4C4D21E27 (1)
Weight, g/mol:	418.177168
ΔH_f, kcal/mol:	-110.49
Dipole, Da:	2.49
IP(EA), eV:	-9.1(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[2-(3-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-2-pyrrolidin-1-ylethanone

Drug info:

PubChemData

Smile

C1COCCN1CC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations