Geometry & MOs

Info

ID:	256299
PubChem CID:	103138293
Reduced:	ClNOC16H24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	309.185942
ΔH_f, kcal/mol:	-61.68
Dipole, Da:	2.96
IP(EA), eV:	-9.02(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chlorophenyl)methyl]-3-(5-methyloxolan-2-yl)-N-propylpropan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CC2=CC(=CC=C2)Cl)CNC

DOS

IR

Vibrations