Geometry & MOs

Info

ID:	283524
PubChem CID:	103987291
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	247.193614
ΔH_f, kcal/mol:	-82.79
Dipole, Da:	3.32
IP(EA), eV:	-8.74(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-(2-methylphenyl)-3-(oxolan-3-yl)propan-2-amine

Drug info:

PubChemData

Smile

CCNC(CC1CCOC1)C2=CC=C(C=C2)OCC

DOS

IR

Vibrations