Geometry & MOs

Info

ID:	186129
PubChem CID:	77393786
Reduced:	PSN3O8C20H28 (1)
Stoich.:	ABC3D8E20F28 (1)
Weight, g/mol:	299.149458
ΔH_f, kcal/mol:	-297.68
Dipole, Da:	4.87
IP(EA), eV:	-9.63(-2.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-5-(1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-3,5,7,9,11-pentaen-12-yl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN(C(C1=CC=CC=C1)C(C(C)OP(=O)(O)O)N)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations