Geometry & MOs

Info

ID:	445286
PubChem CID:	135265862
Reduced:	NOC17H17 (1)
Stoich.:	ABC17D17 (1)
Weight, g/mol:	265.167794
ΔH_f, kcal/mol:	0.46
Dipole, Da:	5.08
IP(EA), eV:	-8.84(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(ethylamino)-2-methoxy-4-(2-methylpropyl)benzoate

Drug info:

PubChemData

Smile

C1CC=C(C1)C2=CC=C(C=C2)CC3=CNC(=O)C=C3

DOS

IR

Vibrations