Geometry & MOs

Info

ID:	415586
PubChem CID:	135088582
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	330.267114
ΔH_f, kcal/mol:	-57.14
Dipole, Da:	4.4
IP(EA), eV:	-9.0(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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CC1=CN=C(C=N1)C(=O)N2CC[C@]3(CCCN([C@@H]3C2)C)CO

DOS

IR

Vibrations