Geometry & MOs

Info

ID:	425808
PubChem CID:	135128090
Reduced:	FOPN3C25H27 (1)
Stoich.:	ABCD3E25F27 (1)
Weight, g/mol:	302.141913
ΔH_f, kcal/mol:	13.04
Dipole, Da:	2.89
IP(EA), eV:	-8.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[C-methyl-N-(pyridin-3-ylmethyl)carbonimidoyl]phenyl]phenol

Drug info:

PubChemData

Smile

C/C=C\C=C(/C=C)\C1=NC2=C(C=C(C=C2)C3=CC(=CC=C3)OC)C(=N1)NCC(C)(F)P

DOS

IR

Vibrations