Geometry & MOs

Info

ID:	283533
PubChem CID:	103987409
Reduced:	NO2C18H29 (1)
Stoich.:	AB2C18D29 (1)
Weight, g/mol:	275.224915
ΔH_f, kcal/mol:	-92.93
Dipole, Da:	4.39
IP(EA), eV:	-8.57(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,5-dimethylphenyl)-3-(oxolan-3-yl)-N-propylpropan-2-amine

Drug info:

PubChemData

Smile

CCCNC(CC1CCOC1)CC2=C(C=CC(=C2)C)OC

DOS

IR

Vibrations