Geometry & MOs

Info

ID:	145425
PubChem CID:	53522550
Reduced:	N3O4C17H21 (1)
Stoich.:	A3B4C17D21 (1)
Weight, g/mol:	339.99934
ΔH_f, kcal/mol:	-142.31
Dipole, Da:	6.69
IP(EA), eV:	-8.98(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)C)CC(=O)NCC(C2=CC=C(C=C2)OC)O

DOS

IR

Vibrations