Geometry & MOs

Info

ID:	256371
PubChem CID:	103138819
Reduced:	BrN3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	337.10413
ΔH_f, kcal/mol:	66.44
Dipole, Da:	3.84
IP(EA), eV:	-8.19(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-bromophenyl)-3-(5-methyloxolan-2-yl)propyl]cyclopropanamine

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)Br)NC2=C3C=NC=CC3=C(C=C2)N

DOS

IR

Vibrations