Geometry & MOs

Info

ID:	173198
PubChem CID:	75609317
Reduced:	O5N7C22H24 (1)
Stoich.:	A5B7C22D24 (1)
Weight, g/mol:	438.098249
ΔH_f, kcal/mol:	28.21
Dipole, Da:	17.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.087691
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(2-hydroxy-2-phenylacetyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate

Drug info:

PubChemData

Smile

C[N+](C)(C)CC(=O)NN=C(CC1C(=O)N=C2C=CC=CC2=N1)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations