Geometry & MOs

Info

ID:	332296
PubChem CID:	127250582
Reduced:	O3N4C20H26 (1)
Stoich.:	A3B4C20D26 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-85.01
Dipole, Da:	3.11
IP(EA), eV:	-9.44(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxycyclohexyl)-1-[2-[6-(1H-pyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CC=NN4)O

DOS

IR

Vibrations