Geometry & MOs

Info

ID:	135449
PubChem CID:	51872510
Reduced:	N3O4H21C22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	357.157623
ΔH_f, kcal/mol:	-24.22
Dipole, Da:	6.42
IP(EA), eV:	-9.21(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-ethoxy-3-methoxy-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=CO3)C(=O)N(C)[C@H](C)C4=CC=CC=C4OC

DOS

IR

Vibrations