Geometry & MOs

Info

ID:	332518
PubChem CID:	127250804
Reduced:	ClO3N5C22H26 (1)
Stoich.:	AB3C5D22E26 (1)
Weight, g/mol:	443.172417
ΔH_f, kcal/mol:	-46.84
Dipole, Da:	5.3
IP(EA), eV:	-9.12(-0.28)
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]-3-(2-methylimidazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NC=CN1CCC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC=C4Cl

DOS

IR

Vibrations