Geometry & MOs

Info

ID:	6481
PubChem CID:	68728
Reduced:	ClN2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	318.137802
ΔH_f, kcal/mol:	-57.89
Dipole, Da:	3.99
IP(EA), eV:	-8.74(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine;dihydrochloride

Drug info:

PubChemData

Smile

CCCN1CCC[C@H]2[C@H]1CC3=CN=C(N=C3C2)N.Cl.Cl

DOS

IR

Vibrations