Geometry & MOs

Info

ID:	396729
PubChem CID:	135029099
Reduced:	C5H6 (9)
Stoich.:	A5B6 (9)
Weight, g/mol:	302.178299
ΔH_f, kcal/mol:	32.0
Dipole, Da:	3.22
IP(EA), eV:	-7.95(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,5aR,9aR)-3,7-diphenyl-1,3,5a,6,8,9-hexahydroazirino[2,1-j][1,6]naphthyridine

Drug info:

PubChemData

Smile

CC1(CCC(C2=C1C3=C4C5=C(C3)C6=C(C7=C5C8=C(C7)C9=C(C1=C8C4=C2C1)C(CCC9(C)C)(C)C)C(CCC6(C)C)(C)C)(C)C)C

DOS

IR

Vibrations