Geometry & MOs

Info

ID:	221229
PubChem CID:	85261598
Reduced:	O7C32H48 (1)
Stoich.:	A7B32C48 (1)
Weight, g/mol:	544.351237
ΔH_f, kcal/mol:	-279.9
Dipole, Da:	3.7
IP(EA), eV:	-8.41(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6,8-bis(butoxycarbonylamino)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Drug info:

PubChemData

Smile

CCCCCCOC1=CC(=CC(=C1OC)OC)C2CCC(O2)C3=CC(=C(C(=C3)OCCCCCC)OC)OC

DOS

IR

Vibrations