Geometry & MOs

Info

ID:	331634
PubChem CID:	127249717
Reduced:	O2N5C23H31 (1)
Stoich.:	A2B5C23D31 (1)
Weight, g/mol:	416.199445
ΔH_f, kcal/mol:	-43.34
Dipole, Da:	4.75
IP(EA), eV:	-8.4(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylpiperidin-1-yl)-2-[2-[6-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CN2CCOC(C2)C3=NC(=CC=C3)NC4=CC=CC(=N4)C

DOS

IR

Vibrations