Geometry & MOs

Info

ID:	156309
PubChem CID:	56370043
Reduced:	BrClON4H12C15 (1)
Stoich.:	ABCD4E12F15 (1)
Weight, g/mol:	380.0484
ΔH_f, kcal/mol:	31.76
Dipole, Da:	1.41
IP(EA), eV:	-9.08(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[1-(3-bromophenyl)-5-methyltriazole-4-carbonyl]-methylamino]acetate

Drug info:

PubChemData

Smile

CC(C1=NC2=CC=CC=C2N1)NC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations