Geometry & MOs

Info

ID:	89667
PubChem CID:	49963443
Reduced:	NOSH13C18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	300.126263
ΔH_f, kcal/mol:	44.82
Dipole, Da:	3.0
IP(EA), eV:	-9.05(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

naphthalen-2-yl-(2-pyrazol-1-ylphenyl)methanol

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(C3=NC4=CC=CC=C4S3)O

DOS

IR

Vibrations