Geometry & MOs

Info

ID:	191231
PubChem CID:	78121146
Reduced:	O4N6C23H26 (1)
Stoich.:	A4B6C23D26 (1)
Weight, g/mol:	460.177837
ΔH_f, kcal/mol:	-61.35
Dipole, Da:	4.88
IP(EA), eV:	-8.45(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-aminopiperidin-1-yl)-3-but-2-ynyl-5-[(7-chloroquinolin-2-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1OC)N2CCOC3=CN=C(C=C32)OC4CCN(C4)C(=O)C5=CN(C=N5)C

DOS

IR

Vibrations