Geometry & MOs

Info

ID:	262752
PubChem CID:	103314161
Reduced:	SN2C16H24 (1)
Stoich.:	AB2C16D24 (1)
Weight, g/mol:	275.224915
ΔH_f, kcal/mol:	2.83
Dipole, Da:	2.47
IP(EA), eV:	-8.52(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-octoxy-2,3,4,5-tetrahydro-1H-1-benzazepine

Drug info:

PubChemData

Smile

CC1CN(CC(S1)C)C2CCC3=CC=CC=C3NC2

DOS

IR

Vibrations