Geometry & MOs

Info

ID:	323129
PubChem CID:	126672752
Reduced:	NPS2H26C40 (1)
Stoich.:	ABC2D26E40 (1)
Weight, g/mol:	305.116427
ΔH_f, kcal/mol:	140.64
Dipole, Da:	5.91
IP(EA), eV:	-7.95(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-amino-5-(4-hydroxyphenyl)pyridin-3-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)C3=CC=CC4=C3C=CC=C4C5=CC6=C(C=C5)N7C8=CC=CC=C8C9=C7C(=CC=C9)S6

DOS

IR

Vibrations