Geometry & MOs

Info

ID:	32086
PubChem CID:	4265981
Reduced:	N3O4C18H21 (1)
Stoich.:	A3B4C18D21 (1)
Weight, g/mol:	419.173273
ΔH_f, kcal/mol:	-131.51
Dipole, Da:	3.93
IP(EA), eV:	-9.58(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-methylbenzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)C

DOS

IR

Vibrations