Geometry & MOs

Info

ID:	308085
PubChem CID:	125316892
Reduced:	O2N3H9C10 (2)
Stoich.:	A2B3C9D10 (2)
Weight, g/mol:	366.115047
ΔH_f, kcal/mol:	38.22
Dipole, Da:	13.54
IP(EA), eV:	-9.68(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(9aR)-1,3,4,9a-tetrahydropyrido[3,4-b]indol-2-yl]-2-oxoethyl]-1,2-dihydrothieno[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1[C@@H](N2C(=NC1=O)N=C(N2)CCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations