Geometry & MOs

Info

ID:	190914
PubChem CID:	78075872
Reduced:	INC25H32 (1)
Stoich.:	ABC25D32 (1)
Weight, g/mol:	372.168522
ΔH_f, kcal/mol:	87.87
Dipole, Da:	19.86
IP(EA), eV:	-5.85(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-methoxy-5-(1-phenylethylcarbamoylamino)phenoxy]acetate

Drug info:

PubChemData

Smile

CC1(C2CC=C(C1C2)C[N+](C)(C)CC3=CC=C(C=C3)C4=CC=CC=C4)C.[I-]

DOS

IR

Vibrations