Geometry & MOs

Info

ID:	391849
PubChem CID:	135010239
Reduced:	O2H12C13 (2)
Stoich.:	A2B12C13 (2)
Weight, g/mol:	431.321956
ΔH_f, kcal/mol:	-29.85
Dipole, Da:	0.73
IP(EA), eV:	-9.19(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2S)-1-(3-aminopropyl)-4-[tert-butyl(dimethyl)silyl]oxy-3-methyl-2-prop-1-ynylcyclohex-3-en-1-yl]-5-methylhex-4-en-1-one

Drug info:

PubChemData

Smile

C=CCC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3OCC=C)CC=C)OCC=C

DOS

IR

Vibrations