Geometry & MOs

Info

ID:	248231
PubChem CID:	103079834
Reduced:	O3N4C13H16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	237.086189
ΔH_f, kcal/mol:	7.97
Dipole, Da:	6.03
IP(EA), eV:	-8.88(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-nitropyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)OCCNC2=NN(C=C2[N+](=O)[O-])C

DOS

IR

Vibrations