Geometry & MOs

Info

ID:	432595
PubChem CID:	135172729
Reduced:	O4C17H23 (2)
Stoich.:	A4B17C23 (2)
Weight, g/mol:	299.199762
ΔH_f, kcal/mol:	-338.53
Dipole, Da:	4.04
IP(EA), eV:	-8.99(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5E)-6-methyl-1,4-dihydro-2,4-benzodiazocin-1-yl]-1-piperidin-4-ylethanol

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=CC(=C3)OCCOC(=O)C(=C)CO)OCCOC(=O)CCO

DOS

IR

Vibrations