Geometry & MOs

Info

ID:	332237
PubChem CID:	127250523
Reduced:	O2N3H25C26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	383.17461
ΔH_f, kcal/mol:	31.19
Dipole, Da:	2.98
IP(EA), eV:	-8.55(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6-pyrimidin-5-ylpyridin-2-yl)-4-(quinolin-4-ylmethyl)morpholine

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=CC=C2)C3CN(CCO3)CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations