Geometry & MOs

Info

ID:	41740
PubChem CID:	8147013
Reduced:	O2N4C20H21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	348.158626
ΔH_f, kcal/mol:	36.16
Dipole, Da:	8.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764645
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN1C=CC=C1[C@H]2CCC[NH+]2CC3=NC(=O)C4=C(N3)C5=CC=CC=C5O4

DOS

IR

Vibrations