Geometry & MOs

Info

ID:	285948
PubChem CID:	104140314
Reduced:	ON2C18H22 (1)
Stoich.:	AB2C18D22 (1)
Weight, g/mol:	284.152478
ΔH_f, kcal/mol:	-14.31
Dipole, Da:	2.86
IP(EA), eV:	-8.46(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)-6-ethylpyridin-4-yl]methanol

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)CO)N2CCCC3=CC=CC=C3C2

DOS

IR

Vibrations