Geometry & MOs

Info

ID:	262426
PubChem CID:	103292815
Reduced:	Cl2O2N3H11C12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	293.056719
ΔH_f, kcal/mol:	-37.27
Dipole, Da:	9.57
IP(EA), eV:	-8.96(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-chloro-6-methoxyphenyl)methyl]-5-nitropyridin-2-amine

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)CNC2=C(C(=O)N=CN2)Cl

DOS

IR

Vibrations