Geometry & MOs

Info

ID:	397845
PubChem CID:	135030834
Reduced:	N2H16C21 (1)
Stoich.:	A2B16C21 (1)
Weight, g/mol:	518.285236
ΔH_f, kcal/mol:	98.35
Dipole, Da:	1.29
IP(EA), eV:	-9.07(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,5S,6S)-4-[tert-butyl(diphenyl)silyl]oxy-5-(2,2-dimethyl-1,3-dioxan-5-yl)-6-ethenyl-2-methylcyclohex-3-ene-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=NC2=C(C=C1)C=CC(=C2)C3=CC=CC=C3C4=CC=CC=N4

DOS

IR

Vibrations