Geometry & MOs

Info

ID:	193785
PubChem CID:	78435511
Reduced:	N3O3C11H24 (1)
Stoich.:	A3B3C11D24 (1)
Weight, g/mol:	219.113353
ΔH_f, kcal/mol:	-111.14
Dipole, Da:	17.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753794
Charge, e:	1

Chem-info

IUPAC name:

1-hydroxy-2-methyl-3-(methylamino)-1,4-dihydro-2-benzazepin-2-ium-5-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)[O-])NC(=O)C(CCCC[NH3+])[NH3+]

DOS

IR

Vibrations