Geometry & MOs

Info

ID:	39147
PubChem CID:	8139790
Reduced:	ClON2C19H22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	309.171536
ΔH_f, kcal/mol:	24.32
Dipole, Da:	3.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.008754
Charge, e:	1

Chem-info

IUPAC name:

[2-[(1H-indazole-3-carbonylamino)methyl]phenyl]methyl-dimethylazanium

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)/C=C/C2=CC=CC=C2Cl

DOS

IR

Vibrations