Geometry & MOs

Info

ID:	256337
PubChem CID:	103138572
Reduced:	NOC17H27 (1)
Stoich.:	ABC17D27 (1)
Weight, g/mol:	289.240565
ΔH_f, kcal/mol:	-49.81
Dipole, Da:	3.17
IP(EA), eV:	-8.83(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyloxolan-2-yl)methyl]-2-phenyl-N-propylbutan-1-amine

Drug info:

PubChemData

Smile

CCC(CC1CCC(O1)C)(CNC)C2=CC=CC=C2

DOS

IR

Vibrations