Geometry & MOs

Info

ID:	444337
PubChem CID:	135262106
Reduced:	O3N7C21H21 (1)
Stoich.:	A3B7C21D21 (1)
Weight, g/mol:	318.115047
ΔH_f, kcal/mol:	2.26
Dipole, Da:	0.78
IP(EA), eV:	-8.95(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperazin-1-yl]-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=NN3C=CC=C3C(=N2)NC4=C(C=NC=C4)C(=O)NCC(CO)O

DOS

IR

Vibrations