Geometry & MOs

Info

ID:	247050
PubChem CID:	103066933
Reduced:	ClNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	281.154642
ΔH_f, kcal/mol:	-32.38
Dipole, Da:	4.04
IP(EA), eV:	-8.62(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-[(4-chloro-3,5-dimethylphenoxy)methyl]prop-2-en-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations