Geometry & MOs

Info

ID:	363054
PubChem CID:	127310085
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	268.157563
ΔH_f, kcal/mol:	-126.24
Dipole, Da:	6.51
IP(EA), eV:	-8.94(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano(cyclopropyl)methyl]-2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)N2CCN(CC2)C(=O)CC3CCC4=CC=CC=C4C3

DOS

IR

Vibrations