Geometry & MOs

Info

ID:	85786
PubChem CID:	49879138
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	-52.12
Dipole, Da:	3.48
IP(EA), eV:	-8.55(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[6-(2,5-dimethoxyphenyl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]phenyl]acetamide

Drug info:

PubChemData

Smile

CN(CCCNC(=O)C1=CC2=C(C=C1)N3CCOCC3=N2)C4CCCCC4

DOS

IR

Vibrations