Geometry & MOs

Info

ID:	37272
PubChem CID:	8019050
Reduced:	NO2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	341.222903
ΔH_f, kcal/mol:	-185.23
Dipole, Da:	2.76
IP(EA), eV:	-9.23(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(4-tert-butylanilino)-2-oxoethyl]-[(4-methoxyphenyl)methyl]-methylazanium

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)NC(=O)COC(=O)C2CCC2

DOS

IR

Vibrations