Geometry & MOs

Info

ID:	22721
PubChem CID:	598409
Reduced:	NC13H15 (1)
Stoich.:	AB13C15 (1)
Weight, g/mol:	185.120449
ΔH_f, kcal/mol:	25.55
Dipole, Da:	1.74
IP(EA), eV:	-9.16(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butylquinoline

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=CC=CC=C2C=C1

DOS

IR

Vibrations