Geometry & MOs

Info

ID:	267580
PubChem CID:	103582770
Reduced:	BrClN3C9H13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	361.05565
ΔH_f, kcal/mol:	12.28
Dipole, Da:	2.4
IP(EA), eV:	-8.84(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-aminocyclohexyl)oxypropyl]-5-bromo-3-chloropyridin-2-amine

Drug info:

PubChemData

Smile

CC(CCNC1=C(C=C(C=N1)Br)Cl)N

DOS

IR

Vibrations