Geometry & MOs

Info

ID:	372992
PubChem CID:	131308238
Reduced:	O2N4C9H10 (1)
Stoich.:	A2B4C9D10 (1)
Weight, g/mol:	261.97601
ΔH_f, kcal/mol:	44.93
Dipole, Da:	2.23
IP(EA), eV:	-10.49(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromopropyl)-5-(chloromethyl)phenol

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1[C@H](CC#N)N)[N+](=O)[O-]

DOS

IR

Vibrations