Geometry & MOs

Info

ID:	307796
PubChem CID:	125309320
Reduced:	O3N4C25H26 (1)
Stoich.:	A3B4C25D26 (1)
Weight, g/mol:	345.147727
ΔH_f, kcal/mol:	-45.13
Dipole, Da:	5.52
IP(EA), eV:	-8.97(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[(9aR)-1,3,4,9a-tetrahydropyrido[3,4-b]indol-2-yl]-1-phenylpyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

CCN1CCC2=C3C=CC=CC3=N[C@@H]2[C@H]1[C@@H]4C(=O)NC(=O)N(C4=O)C5=CC(=C(C=C5)C)C

DOS

IR

Vibrations