Geometry & MOs

Info

ID:	448623
PubChem CID:	135292322
Reduced:	NC12H21 (1)
Stoich.:	AB12C21 (1)
Weight, g/mol:	433.179027
ΔH_f, kcal/mol:	123.3
Dipole, Da:	2.82
IP(EA), eV:	-8.27(0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-acetamido-3,4-dihydronaphthalen-1-yl)naphthalen-2-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CC2CC(=C1)C2)(C)CN

DOS

IR

Vibrations