Geometry & MOs

Info

ID:	63873
PubChem CID:	26759386
Reduced:	N2O5C21H28 (1)
Stoich.:	A2B5C21D28 (1)
Weight, g/mol:	352.163436
ΔH_f, kcal/mol:	-170.58
Dipole, Da:	4.67
IP(EA), eV:	-8.45(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N(C)C1(CCCCC1)C#N)OC(=O)CC2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations