Geometry & MOs

Info

ID:	246361
PubChem CID:	103059374
Reduced:	BrON3C13H14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	308.192235
ΔH_f, kcal/mol:	31.16
Dipole, Da:	2.73
IP(EA), eV:	-8.82(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]-N-propyloxan-4-amine

Drug info:

PubChemData

Smile

CNC1=NC=C(N=C1)COCC2=CC(=CC=C2)Br

DOS

IR

Vibrations