Geometry & MOs

Info

ID:	416538
PubChem CID:	135089589
Reduced:	N4C25H28 (1)
Stoich.:	A4B25C28 (1)
Weight, g/mol:	337.204179
ΔH_f, kcal/mol:	70.53
Dipole, Da:	4.29
IP(EA), eV:	-8.63(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3aS,7R,7aR)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-2-naphthalen-2-ylethanone

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CCN2CCCC3(C2)CCC4=CN=C(N=C34)C5=CC=CC=C5

DOS

IR

Vibrations