Geometry & MOs

Info

ID:	149225
PubChem CID:	53788897
Reduced:	O2N4C11H12 (1)
Stoich.:	A2B4C11D12 (1)
Weight, g/mol:	549.262757
ΔH_f, kcal/mol:	58.75
Dipole, Da:	6.14
IP(EA), eV:	-9.2(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]prop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(CN2C=NC=N2)N=O

DOS

IR

Vibrations