Geometry & MOs

Info

ID:	199391
PubChem CID:	79240715
Reduced:	N3C17H19 (1)
Stoich.:	A3B17C19 (1)
Weight, g/mol:	281.087435
ΔH_f, kcal/mol:	57.87
Dipole, Da:	3.71
IP(EA), eV:	-9.02(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(quinolin-4-ylmethylsulfanyl)phenyl]methanol

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=C1)CN3C=CN=C3C(C)C

DOS

IR

Vibrations