Geometry & MOs

Info

ID:	433829
PubChem CID:	135173972
Reduced:	NOC19H39 (1)
Stoich.:	ABC19D39 (1)
Weight, g/mol:	252.220164
ΔH_f, kcal/mol:	-104.71
Dipole, Da:	1.1
IP(EA), eV:	-8.77(2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)piperazine

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)CC(C)(C)C1CCN(C1)CCOC

DOS

IR

Vibrations