Geometry & MOs

Info

ID:	404223
PubChem CID:	135065495
Reduced:	N2O3H22C27 (1)
Stoich.:	A2B3C22D27 (1)
Weight, g/mol:	292.167459
ΔH_f, kcal/mol:	11.93
Dipole, Da:	3.0
IP(EA), eV:	-8.91(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-tert-butylcyclohexen-1-yl)-2-hydroxybut-3-yn-2-yl]-1,3-dioxolan-2-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C#CC2=C(C=CC(=C2)C(=O)C)C(=O)NC3=CC=CC=C3C4=NCCO4

DOS

IR

Vibrations