Geometry & MOs

Info

ID:	45956
PubChem CID:	10519639
Reduced:	NSiZnC15H31 (1)
Stoich.:	ABCD15E31 (1)
Weight, g/mol:	319.105587
ΔH_f, kcal/mol:	-31.42
Dipole, Da:	1.18
IP(EA), eV:	-7.99(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4aS,11bR)-5-acetyl-1,2-dihydroxy-1,2,3,4,4a,11b-hexahydro-[1,3]dioxolo[4,5-j]phenanthridin-6-one

Drug info:

PubChemData

Smile

CCCC=C=[C-][Si](C)(C)C.CC(C)[N-]C(C)C.[Zn+2]

DOS

IR

Vibrations