Geometry & MOs

Info

ID:	404233
PubChem CID:	135065509
Reduced:	NPO3C16H25 (1)
Stoich.:	ABC3D16E25 (1)
Weight, g/mol:	296.096617
ΔH_f, kcal/mol:	-152.86
Dipole, Da:	2.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.811204
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethylphenyl)-naphthalen-1-ylphosphinic acid

Drug info:

PubChemData

Smile

CC(C)(C)C(C(=O)NC(C)(C)C)O[P+](=O)C1=CC=CC=C1

DOS

IR

Vibrations