Geometry & MOs

Info

ID:	74398
PubChem CID:	48421816
Reduced:	N2O4C15H26 (1)
Stoich.:	A2B4C15D26 (1)
Weight, g/mol:	265.204179
ΔH_f, kcal/mol:	-189.06
Dipole, Da:	3.02
IP(EA), eV:	-9.77(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)C(C)OCC2CC2

DOS

IR

Vibrations