Geometry & MOs

Info

ID:	83891
PubChem CID:	49862247
Reduced:	Cl2F3N3O4H28C29 (1)
Stoich.:	A2B3C3D4E28F29 (1)
Weight, g/mol:	265.121512
ΔH_f, kcal/mol:	-211.25
Dipole, Da:	4.4
IP(EA), eV:	-8.85(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5Z)-5-hydroxyimino-7,8-dihydro-6H-naphthalen-2-yl]-1-methylpyrrole-2-carbonitrile

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)COC3=NC(=C(C=C3)N(C)CC4=CC=C(C=C4)OCCO)C(F)(F)F

DOS

IR

Vibrations