Geometry & MOs

Info

ID:	60507
PubChem CID:	26697108
Reduced:	N4O4C19H28 (1)
Stoich.:	A4B4C19D28 (1)
Weight, g/mol:	430.180053
ΔH_f, kcal/mol:	-77.69
Dipole, Da:	3.51
IP(EA), eV:	-9.03(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-morpholin-4-ium-4-ylethyl)benzamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCCN3CCOCC3)[N+](=O)[O-]

DOS

IR

Vibrations