Geometry & MOs

Info

ID:	222403
PubChem CID:	85297383
Reduced:	N2O4C25H32 (1)
Stoich.:	A2B4C25D32 (1)
Weight, g/mol:	424.26136
ΔH_f, kcal/mol:	-76.44
Dipole, Da:	5.26
IP(EA), eV:	-8.99(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-[3-(furan-3-yl)prop-2-enoyl]-1,4a,7,8a-tetramethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1C(C1NC(CC2=CC=CC=C2)C(=O)OC)CC(=O)NOCC3=CC=CC=C3

DOS

IR

Vibrations