Geometry & MOs

Info

ID:	397398
PubChem CID:	135030160
Reduced:	NC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	59.28
Dipole, Da:	2.86
IP(EA), eV:	-7.99(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-tert-butylphenyl)-2-nitropropyl]pyridine

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](N(N=C1C)C2=CC=C(C=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations