Geometry & MOs

Info

ID:	402971
PubChem CID:	135058127
Reduced:	OPSN2C18H19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	338.143567
ΔH_f, kcal/mol:	6.61
Dipole, Da:	5.09
IP(EA), eV:	-9.03(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[tert-butyl(phenyl)phosphoryl]-naphthalen-2-ylmethanol

Drug info:

PubChemData

Smile

CP(=O)(C1=CC=CC=C1)C(C2=NC=CS2)NCC3=CC=CC=C3

DOS

IR

Vibrations