Geometry & MOs

Info

ID:	125530
PubChem CID:	50927869
Reduced:	O3N5C14H15 (1)
Stoich.:	A3B5C14D15 (1)
Weight, g/mol:	413.129946
ΔH_f, kcal/mol:	-15.22
Dipole, Da:	2.38
IP(EA), eV:	-8.83(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-difluorophenyl)-2-[5-(4-ethylphenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d]triazol-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2C3C(C(=O)NC3=O)N=N2)C

DOS

IR

Vibrations