Geometry & MOs

Info

ID:	344263
PubChem CID:	127267439
Reduced:	NO4C20H25 (1)
Stoich.:	AB4C20D25 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-147.45
Dipole, Da:	4.5
IP(EA), eV:	-9.06(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-(1-tert-butyl-1,2,4-triazole-3-carbonyl)-2,3-dihydroindol-2-yl]acetate

Drug info:

PubChemData

Smile

CC(CO)(C1=CC=C(C=C1)O)NC(=O)CCCOCC2=CC=CC=C2

DOS

IR

Vibrations