Geometry & MOs

Info

ID:	269433
PubChem CID:	103617478
Reduced:	ClION4C14H14 (1)
Stoich.:	ABCD4E14F14 (1)
Weight, g/mol:	396.04471
ΔH_f, kcal/mol:	32.91
Dipole, Da:	4.07
IP(EA), eV:	-9.68(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NN=C2N1CCC2)NC(=O)C3=C(C=CC(=C3)Cl)I

DOS

IR

Vibrations