Geometry & MOs

Info

ID:	343541
PubChem CID:	127266714
Reduced:	O3N6C15H20 (1)
Stoich.:	A3B6C15D20 (1)
Weight, g/mol:	309.099252
ΔH_f, kcal/mol:	-68.73
Dipole, Da:	2.9
IP(EA), eV:	-9.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,4-dimethyl-3-nitropyridin-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1C)NCC2=CN=C(N=C2N)COC

DOS

IR

Vibrations