Geometry & MOs

Info

ID:	187168
PubChem CID:	77538170
Reduced:	N6O7C23H32 (1)
Stoich.:	A6B7C23D32 (1)
Weight, g/mol:	237.98407
ΔH_f, kcal/mol:	-269.53
Dipole, Da:	3.75
IP(EA), eV:	-9.27(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(bromomethyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)OCC(C(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2)NC3=NCCN3

DOS

IR

Vibrations