Geometry & MOs

Info

ID:	284330
PubChem CID:	104043682
Reduced:	ClNO2C15H22 (1)
Stoich.:	ABC2D15E22 (1)
Weight, g/mol:	279.183444
ΔH_f, kcal/mol:	-99.84
Dipole, Da:	1.11
IP(EA), eV:	-9.31(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[2-(2,6-dimethyloxan-4-yl)oxyethoxy]phenyl]methanamine

Drug info:

PubChemData

Smile

CC1CC(CC(O1)C)OC(CN)C2=CC=CC=C2Cl

DOS

IR

Vibrations