Geometry & MOs

Info

ID:	380851
PubChem CID:	134971425
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	306.183109
ΔH_f, kcal/mol:	-43.19
Dipole, Da:	3.54
IP(EA), eV:	-9.67(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-methyl-4-[(4R,5R)-2,4,5-trimethyl-1,3-dioxolan-2-yl]butanoate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C(=O)C)C=C3

DOS

IR

Vibrations