Geometry & MOs

Info

ID:	137589
PubChem CID:	52230889
Reduced:	NO2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	273.172879
ΔH_f, kcal/mol:	-29.56
Dipole, Da:	3.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.872547
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethylphenyl)methyl]-N-(furan-2-ylmethyl)-2-methoxyethanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C[NH+](CCOC)CC2=CC=CO2)C

DOS

IR

Vibrations