Geometry & MOs

Info

ID:	248254
PubChem CID:	103080044
Reduced:	N2O2C4H7 (2)
Stoich.:	A2B2C4D7 (2)
Weight, g/mol:	256.128388
ΔH_f, kcal/mol:	-68.82
Dipole, Da:	8.39
IP(EA), eV:	-9.13(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dimethyl-3-[2-[(1-methyl-4-nitropyrazol-3-yl)amino]ethyl]urea

Drug info:

PubChemData

Smile

CC(CO)(CO)NC1=NN(C=C1[N+](=O)[O-])C

DOS

IR

Vibrations