Geometry & MOs

Info

ID:	145682
PubChem CID:	53570380
Reduced:	SO3N4C15H22 (1)
Stoich.:	AB3C4D15E22 (1)
Weight, g/mol:	321.15896
ΔH_f, kcal/mol:	-40.4
Dipole, Da:	5.03
IP(EA), eV:	-9.45(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(3-pyrrol-1-ylphenyl)methanone

Drug info:

PubChemData

Smile

CCCCNC(=O)CC1=NOC(=N1)CSCC2=C(ON=C2C)C

DOS

IR

Vibrations