Geometry & MOs

Info

ID:	332106
PubChem CID:	127250392
Reduced:	O3N6C21H26 (1)
Stoich.:	A3B6C21D26 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-67.73
Dipole, Da:	2.9
IP(EA), eV:	-9.12(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxycyclohexyl)-1-[2-(5-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

C1CCC(=O)N(CC1)CC(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CN=C(N=C4)N

DOS

IR

Vibrations