Geometry & MOs

Info

ID:	271361
PubChem CID:	103669455
Reduced:	BrClON2C11H12 (1)
Stoich.:	ABCD2E11F12 (1)
Weight, g/mol:	234.184447
ΔH_f, kcal/mol:	-4.09
Dipole, Da:	3.28
IP(EA), eV:	-9.78(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-propan-2-ylazepan-1-yl)pyrazin-2-amine

Drug info:

PubChemData

Smile

CCC1CC1NC(=O)C2=C(N=CC(=C2)Br)Cl

DOS

IR

Vibrations