Geometry & MOs

Info

ID:	403650
PubChem CID:	135061209
Reduced:	OC10H13 (2)
Stoich.:	AB10C13 (2)
Weight, g/mol:	632.357385
ΔH_f, kcal/mol:	-50.03
Dipole, Da:	3.03
IP(EA), eV:	-8.98(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[3-[10-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)decoxy]-3-oxopropyl]triazol-1-yl]-2-methyl-4-phenylbutanoate

Drug info:

PubChemData

Smile

COC(=O)/C(=C/CCCCC=C)/CCC=CC1=CC=CC=C1

DOS

IR

Vibrations