Geometry & MOs

Info

ID:	283983
PubChem CID:	104023598
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	-75.42
Dipole, Da:	4.45
IP(EA), eV:	-8.33(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(tert-butylamino)-3-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC(C)CNCC(CN1CCCOC2=CC=CC=C21)O

DOS

IR

Vibrations