Geometry & MOs

Info

ID:	281379
PubChem CID:	103913785
Reduced:	NSO3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-119.14
Dipole, Da:	4.99
IP(EA), eV:	-8.6(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-methoxyphenyl)ethyl]-1-(1-methylimidazol-2-yl)ethanamine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CCNC2CCCC2S(=O)(=O)C

DOS

IR

Vibrations