Geometry & MOs

Info

ID:	431711
PubChem CID:	135171807
Reduced:	NO2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	392.231122
ΔH_f, kcal/mol:	-29.98
Dipole, Da:	4.49
IP(EA), eV:	-9.35(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-[4-[cyclohexyl(2-methylpropyl)amino]-3-nitrophenyl]ethoxy]acetate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C(C)C)NC(=O)C1=CC=C(C=C1)C#CC2=CC=C(C=C2)N=O

DOS

IR

Vibrations