Geometry & MOs

Info

ID:	405364
PubChem CID:	135073660
Reduced:	BrNO4C20H22 (1)
Stoich.:	ABC4D20E22 (1)
Weight, g/mol:	312.190942
ΔH_f, kcal/mol:	-107.34
Dipole, Da:	1.64
IP(EA), eV:	-9.03(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-butyl-3-trimethylsilylcycloprop-2-en-1-yl)-4-phenylbut-3-yn-2-ol

Drug info:

PubChemData

Smile

COC(=O)OC/C=C/CN(CC1=CC=CC=C1)CC2=C(C=CC(=C2)O)Br

DOS

IR

Vibrations