Geometry & MOs

Info

ID:	323898
PubChem CID:	126676475
Reduced:	N8C17H20 (1)
Stoich.:	A8B17C20 (1)
Weight, g/mol:	305.061885
ΔH_f, kcal/mol:	138.33
Dipole, Da:	3.69
IP(EA), eV:	-8.28(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-(2-fluoro-5-propan-2-yloxyphenyl)-4-hydroxybenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)CN2C=C(C=N2)CC3=CC(=NC4=C3NNN4)N)CN

DOS

IR

Vibrations