Geometry & MOs

Info

ID:	234441
PubChem CID:	92298442
Reduced:	NO3C20H23 (1)
Stoich.:	AB3C20D23 (1)
Weight, g/mol:	396.168522
ΔH_f, kcal/mol:	-103.01
Dipole, Da:	3.89
IP(EA), eV:	-9.38(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(dimethylamino)propan-2-yl] (Z)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](CCC1=CC=CC=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C

DOS

IR

Vibrations