Geometry & MOs

Info

ID:	416519
PubChem CID:	135089545
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	316.262697
ΔH_f, kcal/mol:	-30.41
Dipole, Da:	4.04
IP(EA), eV:	-9.24(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-5-N-[[6-(dimethylamino)pyridin-3-yl]methyl]-2-N,2-N,5-N-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene-2,5-diamine

Drug info:

PubChemData

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C1CC1NC(=O)CN2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations