Geometry & MOs

Info

ID:	211128
PubChem CID:	80900405
Reduced:	O2N7C12H21 (1)
Stoich.:	A2B7C12D21 (1)
Weight, g/mol:	295.139287
ΔH_f, kcal/mol:	-35.11
Dipole, Da:	6.76
IP(EA), eV:	-9.29(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-hydrazinyl-5-nitropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=NC(=NC(=N1)N2CCC(CC2)C(=O)NC)NN

DOS

IR

Vibrations