Geometry & MOs

Info

ID:	332295
PubChem CID:	127250581
Reduced:	O3N4C24H26 (1)
Stoich.:	A3B4C24D26 (1)
Weight, g/mol:	370.200491
ΔH_f, kcal/mol:	-41.99
Dipole, Da:	3.66
IP(EA), eV:	-8.7(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxycyclohexyl)-1-[2-[6-(1H-pyrazol-5-yl)pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1OCCC(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CN=C(C=C4)N

DOS

IR

Vibrations