Geometry & MOs

Info

ID:	176258
PubChem CID:	76019622
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	379.199488
ΔH_f, kcal/mol:	-157.47
Dipole, Da:	6.06
IP(EA), eV:	-9.49(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2,3-dihydroxy-8,9-dimethoxy-2,3,4,4a,6,10b-hexahydro-1H-phenanthridine-5-carboxylate

Drug info:

PubChemData

Smile

CC1C(CC2=C(CCC3C2C1OC(=O)C3)C)O

DOS

IR

Vibrations