Geometry & MOs

Info

ID:	89679
PubChem CID:	49963622
Reduced:	NSO2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	267.125929
ΔH_f, kcal/mol:	-19.4
Dipole, Da:	3.41
IP(EA), eV:	-9.01(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methoxynaphthalen-1-yl)-(1-methylpyrrol-2-yl)methanol

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1C(C2=NC3=CC=CC=C3S2)O

DOS

IR

Vibrations