Geometry & MOs

Info

ID:	261416
PubChem CID:	103232312
Reduced:	BrN2O3H11C12 (1)
Stoich.:	AB2C3D11E12 (1)
Weight, g/mol:	269.185175
ΔH_f, kcal/mol:	-36.12
Dipole, Da:	2.86
IP(EA), eV:	-8.88(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NCC2=CC(=NO2)C(=O)O

DOS

IR

Vibrations