Geometry & MOs

Info

ID:	287331
PubChem CID:	104237030
Reduced:	ClNOSC16H20 (1)
Stoich.:	ABCDE16F20 (1)
Weight, g/mol:	253.123342
ΔH_f, kcal/mol:	-14.06
Dipole, Da:	1.06
IP(EA), eV:	-8.77(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-pent-4-enoxyphenyl)-N-methylethanamine

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)COC2=C(C=C(C=C2)C(C)NC)Cl

DOS

IR

Vibrations