Geometry & MOs

Info

ID:	403198
PubChem CID:	135059143
Reduced:	N3H8C11 (2)
Stoich.:	A3B8C11 (2)
Weight, g/mol:	319.061136
ΔH_f, kcal/mol:	203.12
Dipole, Da:	3.24
IP(EA), eV:	-9.53(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methoxy-2-(methylcarbamoyl)phenyl] 4-chlorobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=CN=N2)C3=CC=C(C=C3)C4=CN=NN4C5=CC=CC=C5

DOS

IR

Vibrations