Geometry & MOs

Info

ID:	39074
PubChem CID:	8139643
Reduced:	ClN2O4H17C19 (1)
Stoich.:	AB2C4D17E19 (1)
Weight, g/mol:	325.227989
ΔH_f, kcal/mol:	-57.36
Dipole, Da:	3.59
IP(EA), eV:	-9.14(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[(4-tert-butylbenzoyl)amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)COC3=CC=CC=C3Cl

DOS

IR

Vibrations