Geometry & MOs

Info

ID:	190282
PubChem CID:	77980508
Reduced:	SN5O9C21H25 (1)
Stoich.:	AB5C9D21E25 (1)
Weight, g/mol:	409.19026
ΔH_f, kcal/mol:	-329.49
Dipole, Da:	6.89
IP(EA), eV:	-8.73(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]butan-2-ol

Drug info:

PubChemData

Smile

CC(C(C(COC(=O)C)OCN1C=C2C3=C(NC(=O)C(=O)N2)N=C(N=C31)SC)OC(=O)C)OC(=O)C

DOS

IR

Vibrations