Geometry & MOs

Info

ID:	247070
PubChem CID:	103067209
Reduced:	ClNOC12H16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	235.157229
ΔH_f, kcal/mol:	-18.28
Dipole, Da:	3.1
IP(EA), eV:	-8.54(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(propylaminomethyl)prop-2-enoxy]phenyl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(=C)CNC)Cl

DOS

IR

Vibrations