Geometry & MOs

Info

ID:	299549
PubChem CID:	117687500
Reduced:	SN2O5C20H34 (1)
Stoich.:	AB2C5D20E34 (1)
Weight, g/mol:	280.193949
ΔH_f, kcal/mol:	-248.41
Dipole, Da:	6.39
IP(EA), eV:	-9.14(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-methylbutan-2-amine

Drug info:

PubChemData

Smile

CC(=O)C1CC(CN1)OCC23CC4CC(C2)CC(C4)(C3)NCCCS(=O)(=O)O

DOS

IR

Vibrations