Geometry & MOs

Info

ID:	39089
PubChem CID:	8139674
Reduced:	ClN3O3C17H18 (1)
Stoich.:	AB3C3D17E18 (1)
Weight, g/mol:	275.212338
ΔH_f, kcal/mol:	-2.96
Dipole, Da:	4.56
IP(EA), eV:	-8.95(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-[(cyclohexanecarbonylamino)methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations