Geometry & MOs

Info

ID:	283992
PubChem CID:	104024571
Reduced:	ON2C16H26 (1)
Stoich.:	AB2C16D26 (1)
Weight, g/mol:	254.105528
ΔH_f, kcal/mol:	-38.23
Dipole, Da:	1.32
IP(EA), eV:	-8.58(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)pyridine-3-carbaldehyde

Drug info:

PubChemData

Smile

CC(CCCN1CCCOC2=CC=CC=C21)CCN

DOS

IR

Vibrations