Geometry & MOs

Info

ID:	46117
PubChem CID:	10522092
Reduced:	N2O5C18H30 (1)
Stoich.:	A2B5C18D30 (1)
Weight, g/mol:	354.219495
ΔH_f, kcal/mol:	-233.53
Dipole, Da:	3.25
IP(EA), eV:	-9.62(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-3-(2,5,5-trimethyl-1,3,4,4a,6,7-hexahydronaphthalen-2-yl)propyl] benzoate

Drug info:

PubChemData

Smile

CCC(CC)C1=NO[C@H]2[C@@H]1[C@@H](C[C@@H]2C(=O)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations