Geometry & MOs

Info

ID:	194569
PubChem CID:	78558092
Reduced:	N5O5C17H17 (1)
Stoich.:	A5B5C17D17 (1)
Weight, g/mol:	386.15902
ΔH_f, kcal/mol:	-54.2
Dipole, Da:	3.07
IP(EA), eV:	-9.78(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-methyl-2,3-dihydroindol-1-yl)-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)C)[N+](=O)[O-]

DOS

IR

Vibrations