Geometry & MOs

Info

ID:	222000
PubChem CID:	85293290
Reduced:	ISiO3C18H29 (1)
Stoich.:	ABC3D18E29 (1)
Weight, g/mol:	448.236208
ΔH_f, kcal/mol:	-135.72
Dipole, Da:	5.1
IP(EA), eV:	-9.11(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[3-(aminomethyl)phenyl]methyl]-6-ethenyl-3-(4-methoxyphenyl)-1-oxo-4,4a,5,6,7,7a-hexahydro-3H-cyclopenta[c]pyridine-7-carboxylate

Drug info:

PubChemData

Smile

CC1C=C(C(=O)O1)CC(CCCC#CI)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations