Geometry & MOs

Info

ID:	395508
PubChem CID:	135025664
Reduced:	NSO4C23H23 (1)
Stoich.:	ABC4D23E23 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-95.62
Dipole, Da:	2.02
IP(EA), eV:	-8.82(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-4-(2-prop-1-en-2-yl-1,3-dioxolan-2-yl)butanal

Drug info:

PubChemData

Smile

C[C@@](CS(=O)(=O)C1=CC=CC=C1)(C2=CC=C(C=C2)OC)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations