Geometry & MOs

Info

ID:	437277
PubChem CID:	135221186
Reduced:	ClNO3H14C18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	185.980564
ΔH_f, kcal/mol:	-64.44
Dipole, Da:	4.23
IP(EA), eV:	-9.31(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)COC2=CC3=NC=C(C=C3C=C2)CC(=O)O

DOS

IR

Vibrations