Geometry & MOs

Info

ID:	126330
PubChem CID:	50960008
Reduced:	ON5C18H23 (1)
Stoich.:	AB5C18D23 (1)
Weight, g/mol:	330.148061
ΔH_f, kcal/mol:	27.05
Dipole, Da:	6.74
IP(EA), eV:	-8.93(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-imidazol-2-yl)-1,3,4,6,7,12-hexahydroquinolino[7,6-b][1]benzazepin-2-one

Drug info:

PubChemData

Smile

CN1CCC2(C1)CCN(CC2)C(=O)C3=CC=CC=C3C4=NC=NN4

DOS

IR

Vibrations