Geometry & MOs

Info

ID:	270840
PubChem CID:	103638389
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	13.33
Dipole, Da:	2.53
IP(EA), eV:	-9.57(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohepten-1-yl(quinolin-5-yl)methanol

Drug info:

PubChemData

Smile

C1CCC=C(CC1)C(C2=CC3=NC=CN=C3C=C2)O

DOS

IR

Vibrations