Geometry & MOs

Info

ID:	54940
PubChem CID:	17389570
Reduced:	ClNO2C11H16 (1)
Stoich.:	ABC2D11E16 (1)
Weight, g/mol:	327.08339
ΔH_f, kcal/mol:	-78.52
Dipole, Da:	5.27
IP(EA), eV:	-8.63(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-ylmethyl)-4-methoxybenzaldehyde;hydrobromide

Drug info:

PubChemData

Smile

CN(C)CC1=C(C=CC(=C1)C=O)OC.Cl

DOS

IR

Vibrations