Geometry & MOs

Info

ID:	245843
PubChem CID:	103024194
Reduced:	ON2C13H22 (1)
Stoich.:	AB2C13D22 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-36.99
Dipole, Da:	2.41
IP(EA), eV:	-9.6(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxy-3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol

Drug info:

PubChemData

Smile

CCCCCCC(=O)CCC1=CC=NN1C

DOS

IR

Vibrations