Geometry & MOs

Info

ID:	404571
PubChem CID:	135066853
Reduced:	N2O5H18C21 (1)
Stoich.:	A2B5C18D21 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-151.52
Dipole, Da:	4.02
IP(EA), eV:	-8.56(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] 3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)OC(=O)C)C(=O)NC2=CC=CC3=C2N=CC=C3)OC(=O)C

DOS

IR

Vibrations