Geometry & MOs

Info

ID:	361386
PubChem CID:	127303252
Reduced:	OSN4C18H22 (1)
Stoich.:	ABC4D18E22 (1)
Weight, g/mol:	378.115047
ΔH_f, kcal/mol:	32.52
Dipole, Da:	1.82
IP(EA), eV:	-9.07(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-(4H-thieno[3,2-c]chromen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)N3CCN4C(=NN=C4C5CC5)C3

DOS

IR

Vibrations