Geometry & MOs

Info

ID:	171476
PubChem CID:	75382211
Reduced:	BrO2N3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	263.188529
ΔH_f, kcal/mol:	-48.07
Dipole, Da:	8.23
IP(EA), eV:	-8.86(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yloxy)propan-1-amine

Drug info:

PubChemData

Smile

CC(=O)NCC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)Br)N3CCCC3

DOS

IR

Vibrations