Geometry & MOs

Info

ID:	125480
PubChem CID:	50925930
Reduced:	BrO2N4H15C20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	416.196074
ΔH_f, kcal/mol:	71.47
Dipole, Da:	5.91
IP(EA), eV:	-9.24(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(dimethylamino)phenyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C=CC=C2C3=NC(=NO3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations