Geometry & MOs

Info

ID:	256293
PubChem CID:	103138254
Reduced:	BrNOC16H24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	289.240565
ΔH_f, kcal/mol:	-46.8
Dipole, Da:	1.36
IP(EA), eV:	-9.0(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyloxolan-2-yl)methyl]-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(O1)CC(CC2=CC=C(C=C2)Br)CNC

DOS

IR

Vibrations