Geometry & MOs

Info

ID:	151102
PubChem CID:	53790800
Reduced:	O2C6N7H9 (1)
Stoich.:	A2B6C7D9 (1)
Weight, g/mol:	424.185903
ΔH_f, kcal/mol:	-39.89
Dipole, Da:	3.0
IP(EA), eV:	-8.16(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(3,4-dimethoxyphenyl)-5-ethylpyrimidin-2-yl]-N-(5-nitropyridin-2-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

C1(=C(N=C(C(=O)N1)N)N)C(=O)N=C(N)N

DOS

IR

Vibrations