Geometry & MOs

Info

ID:	332559
PubChem CID:	127250845
Reduced:	O4N5C23H27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	441.156767
ΔH_f, kcal/mol:	-75.96
Dipole, Da:	3.7
IP(EA), eV:	-8.94(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)N2CCOC(C2)C3=NNC(=C3)CCOC4=CC=CC(=C4)OC)C

DOS

IR

Vibrations