Geometry & MOs

Info

ID:	193999
PubChem CID:	78466135
Reduced:	NO5C24H29 (1)
Stoich.:	AB5C24D29 (1)
Weight, g/mol:	386.147786
ΔH_f, kcal/mol:	-155.73
Dipole, Da:	2.29
IP(EA), eV:	-8.39(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methoxy-4-nitroanilino)-1-oxopropan-2-yl] 3-phenylbutanoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)N(CC2=CC=CC=C2)C(C)C)OC

DOS

IR

Vibrations