Geometry & MOs

Info

ID:	247431
PubChem CID:	103071366
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	226.204513
ΔH_f, kcal/mol:	-86.47
Dipole, Da:	1.93
IP(EA), eV:	-8.97(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[2-(ethylaminomethyl)prop-2-enyl]azepan-2-yl]methanol

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1CCOCC1CO

DOS

IR

Vibrations