Geometry & MOs

Info

ID:	277068
PubChem CID:	103826578
Reduced:	BrClN2O2H10C14 (1)
Stoich.:	ABC2D2E10F14 (1)
Weight, g/mol:	368.00395
ΔH_f, kcal/mol:	-42.37
Dipole, Da:	4.67
IP(EA), eV:	-9.26(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-chloro-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)N)NC(=O)C2=CC(=CC(=C2)Br)Cl

DOS

IR

Vibrations