Geometry & MOs

Info

ID:	39349
PubChem CID:	8140416
Reduced:	FON2C18H21 (1)
Stoich.:	ABC2D18E21 (1)
Weight, g/mol:	369.192666
ΔH_f, kcal/mol:	-50.08
Dipole, Da:	3.02
IP(EA), eV:	-8.86(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[[[4-(cyclopropylamino)-3-nitrobenzoyl]amino]methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)CC2=CC=CC=C2F

DOS

IR

Vibrations