Geometry & MOs

Info

ID:	73801
PubChem CID:	48420485
Reduced:	NOH8C11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	368.056385
ΔH_f, kcal/mol:	34.73
Dipole, Da:	5.27
IP(EA), eV:	-9.69(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 4-chloro-2-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)OC(=O)C3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations