Geometry & MOs

Info

ID:	247020
PubChem CID:	103066492
Reduced:	NOCl2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	-24.43
Dipole, Da:	2.66
IP(EA), eV:	-8.95(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC(=C)COC1=C(C=CC(=C1)Cl)Cl

DOS

IR

Vibrations