Geometry & MOs

Info

ID:	331624
PubChem CID:	127249707
Reduced:	FO2N5C21H26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	402.183795
ΔH_f, kcal/mol:	-70.62
Dipole, Da:	4.61
IP(EA), eV:	-8.65(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CN2CCOC(C2)C3=NC(=CC=C3)NC4=NC=C(C=C4)F

DOS

IR

Vibrations