Geometry & MOs

Info

ID:	248253
PubChem CID:	103080037
Reduced:	O3N5C10H17 (1)
Stoich.:	A3B5C10D17 (1)
Weight, g/mol:	230.101505
ΔH_f, kcal/mol:	-33.62
Dipole, Da:	7.04
IP(EA), eV:	-9.31(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[(1-methyl-4-nitropyrazol-3-yl)amino]propane-1,3-diol

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CNC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations