Geometry & MOs

Info

ID:	165978
PubChem CID:	74621437
Reduced:	NPO3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	290.094605
ΔH_f, kcal/mol:	-124.5
Dipole, Da:	6.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.133371
Charge, e:	-1

Chem-info

IUPAC name:

hydroxy-[(4-methylanilino)-(3-methylphenyl)methyl]phosphinate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(C2=CC=CC=C2)P(=O)(O)[O-]

DOS

IR

Vibrations