Geometry & MOs

Info

ID:	332402
PubChem CID:	127250688
Reduced:	O2N5C23H33 (1)
Stoich.:	A2B5C23D33 (1)
Weight, g/mol:	384.216141
ΔH_f, kcal/mol:	-27.01
Dipole, Da:	4.13
IP(EA), eV:	-8.6(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxycyclohexyl)-1-[2-[5-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C(C=C2)C3CN(CCO3)C(=O)CCCN4CCCCCC4

DOS

IR

Vibrations