Geometry & MOs

Info

ID:	251960
PubChem CID:	103108114
Reduced:	BrClON2C13H18 (1)
Stoich.:	ABCD2E13F18 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-34.39
Dipole, Da:	4.55
IP(EA), eV:	-9.44(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-amino-2-methyl-3-oxopropyl)-5-(2-methylpropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=C(C=C(C=C1)Cl)Br

DOS

IR

Vibrations