Geometry & MOs

Info

ID:	402263
PubChem CID:	135055257
Reduced:	N3O4C35H39 (1)
Stoich.:	A3B4C35D39 (1)
Weight, g/mol:	313.167794
ΔH_f, kcal/mol:	-58.96
Dipole, Da:	3.3
IP(EA), eV:	-9.14(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-(4-methoxyanilino)-2-(3-methylphenyl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H]2CN([C@H]([C@@]23N=C(C1(O3)N4CCOCC4)C5=CC=CC=C5)CCC6=CC=CC=C6)CC7=CC=CC=C7

DOS

IR

Vibrations