Geometry & MOs

Info

ID:	393399
PubChem CID:	135020425
Reduced:	N3O3H19C21 (1)
Stoich.:	A3B3C19D21 (1)
Weight, g/mol:	361.170474
ΔH_f, kcal/mol:	-56.92
Dipole, Da:	1.76
IP(EA), eV:	-8.95(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(cyclohexatrienyl)-7,8,9-trimethyl-2-phenylpyrrolo[2,3-h]quinoline

Drug info:

PubChemData

Smile

CN1C[C@@H]2[C@H]([C@@]13C4=CC=CC=C4N(C3=O)C)C(=O)N(C2=O)C5=CC=CC=C5

DOS

IR

Vibrations