Geometry & MOs

Info

ID:	248294
PubChem CID:	103080345
Reduced:	O2N5C11H19 (1)
Stoich.:	A2B5C11D19 (1)
Weight, g/mol:	241.153875
ΔH_f, kcal/mol:	21.25
Dipole, Da:	5.75
IP(EA), eV:	-8.88(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-2-N-(1-methyl-4-nitropyrazol-3-yl)butane-1,2-diamine

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=NN(C=C2[N+](=O)[O-])C)NC

DOS

IR

Vibrations