Geometry & MOs

Info

ID:	194574
PubChem CID:	78558097
Reduced:	N4O5C16H18 (1)
Stoich.:	A4B5C16D18 (1)
Weight, g/mol:	350.122634
ΔH_f, kcal/mol:	-89.08
Dipole, Da:	3.81
IP(EA), eV:	-9.16(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)OC(C)C(=O)NC2=CC=CC=C2)C)[N+](=O)[O-]

DOS

IR

Vibrations