Geometry & MOs

Info

ID:	183616
PubChem CID:	77045710
Reduced:	BrOSN4C12H13 (1)
Stoich.:	ABCD4E12F13 (1)
Weight, g/mol:	238.117824
ΔH_f, kcal/mol:	52.18
Dipole, Da:	6.09
IP(EA), eV:	-9.34(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-2-oxoimidazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=NN1)CN(C)C(=O)C=CC2=CC=C(S2)Br

DOS

IR

Vibrations