Geometry & MOs

Info

ID:	400028
PubChem CID:	135044632
Reduced:	O2C15H22 (1)
Stoich.:	A2B15C22 (1)
Weight, g/mol:	253.146664
ΔH_f, kcal/mol:	-79.66
Dipole, Da:	3.98
IP(EA), eV:	-9.19(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-2-methoxy-9H-indeno[2,1-b]pyridine

Drug info:

PubChemData

Smile

CC1(C[C@H]2C=C(/C(=C/CO)/C(=C)[C@@H]2C1)CO)C

DOS

IR

Vibrations