Geometry & MOs

Info

ID:	265901
PubChem CID:	103556133
Reduced:	BrNO3C16H22 (1)
Stoich.:	ABC3D16E22 (1)
Weight, g/mol:	390.99694
ΔH_f, kcal/mol:	-100.75
Dipole, Da:	4.61
IP(EA), eV:	-8.94(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dibromophenyl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine

Drug info:

PubChemData

Smile

COC1(CCC1)CC(C2=CC3=C(C=C2Br)OCCCO3)N

DOS

IR

Vibrations