Geometry & MOs

Info

ID:	336584
PubChem CID:	127255591
Reduced:	BrNO5H6C8 (1)
Stoich.:	ABC5D6E8 (1)
Weight, g/mol:	165.128427
ΔH_f, kcal/mol:	-109.61
Dipole, Da:	4.23
IP(EA), eV:	-10.19(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methylheptan-2-amine;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])Br)O

DOS

IR

Vibrations