Geometry & MOs

Info

ID:	360257
PubChem CID:	127300900
Reduced:	OSN4C21H22 (1)
Stoich.:	ABC4D21E22 (1)
Weight, g/mol:	380.130697
ΔH_f, kcal/mol:	40.72
Dipole, Da:	10.1
IP(EA), eV:	-9.04(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-propan-2-yl-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

CC(C)C1=NN=C2N1CCN(C2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5CC4

DOS

IR

Vibrations