Geometry & MOs

Info

ID:	226347
PubChem CID:	87350519
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	389.342443
ΔH_f, kcal/mol:	80.2
Dipole, Da:	6.13
IP(EA), eV:	-8.57(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-(dimethylamino)henicosan-2-ol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN/C(=C/2\C3=CC=CC=C3NO2)/N=O

DOS

IR

Vibrations