Geometry & MOs

Info

ID:	159242
PubChem CID:	57266032
Reduced:	O2N3C6H9 (1)
Stoich.:	A2B3C6D9 (1)
Weight, g/mol:	299.188529
ΔH_f, kcal/mol:	-59.65
Dipole, Da:	4.39
IP(EA), eV:	-9.99(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,5R)-5-acetyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl]benzamide

Drug info:

PubChemData

Smile

CC(NC(=O)N1C=CN=C1)O

DOS

IR

Vibrations