Geometry & MOs

Info

ID:	415328
PubChem CID:	135088322
Reduced:	N3O3C17H27 (1)
Stoich.:	A3B3C17D27 (1)
Weight, g/mol:	278.18167
ΔH_f, kcal/mol:	-109.25
Dipole, Da:	3.72
IP(EA), eV:	-9.07(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-2-N,2-N,5-N-trimethyl-5-N-(thiophen-2-ylmethyl)-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine

Drug info:

PubChemData

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CC1=NC=CN1CC2(CC2)CNC(=O)[C@@H]3CC[C@@H]([C@@H](C3)OC)O

DOS

IR

Vibrations