Geometry & MOs

Info

ID:	347303
PubChem CID:	127272097
Reduced:	O2N5C20H31 (1)
Stoich.:	A2B5C20D31 (1)
Weight, g/mol:	354.208947
ΔH_f, kcal/mol:	-42.12
Dipole, Da:	3.66
IP(EA), eV:	-8.7(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[(5-ethoxy-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]methyl]-2,6-dimethylmorpholine

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)CCN3C(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations