Geometry & MOs

Info

ID:	256569
PubChem CID:	103139940
Reduced:	BrN3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	245.154642
ΔH_f, kcal/mol:	81.36
Dipole, Da:	2.8
IP(EA), eV:	-8.35(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(5-methyloxolan-2-yl)methanamine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(C2=CC=CC3=C2C=NC=C3)NN)Br

DOS

IR

Vibrations