Geometry & MOs

Info

ID:	332509
PubChem CID:	127250795
Reduced:	O4N5C23H29 (1)
Stoich.:	A4B5C23D29 (1)
Weight, g/mol:	429.156767
ΔH_f, kcal/mol:	-39.85
Dipole, Da:	3.57
IP(EA), eV:	-8.76(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NON=C1CC(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=C(C=C4)C(C)C

DOS

IR

Vibrations