Geometry & MOs

Info

ID:	290161
PubChem CID:	104415677
Reduced:	BON2F3C8H17 (1)
Stoich.:	ABC2D3E8F17 (1)
Weight, g/mol:	297.154938
ΔH_f, kcal/mol:	-322.22
Dipole, Da:	4.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758580
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]-N-(2-methylpropyl)acetamide

Drug info:

PubChemData

Smile

[B-](CN(C)CC(=O)NCC(C)C)(F)(F)F

DOS

IR

Vibrations