Geometry & MOs

Info

ID:	145654
PubChem CID:	53565452
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	345.071802
ΔH_f, kcal/mol:	-67.17
Dipole, Da:	4.28
IP(EA), eV:	-8.48(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCC1CN2CCOCC2)C(C3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations