Geometry & MOs

Info

ID:	332099
PubChem CID:	127250385
Reduced:	NOC9H9 (3)
Stoich.:	ABC9D9 (3)
Weight, g/mol:	380.196074
ΔH_f, kcal/mol:	-33.69
Dipole, Da:	4.24
IP(EA), eV:	-8.53(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-propan-2-ylimidazol-1-yl)-1-[2-[5-(1H-pyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CN=C(C=C2)C3CN(CCO3)C(=O)CCC4=CNC5=CC=CC=C54

DOS

IR

Vibrations