Geometry & MOs

Info

ID:	284048
PubChem CID:	104029668
Reduced:	BrN2O3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	337.09021
ΔH_f, kcal/mol:	-115.85
Dipole, Da:	5.35
IP(EA), eV:	-9.0(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-3-(1-heptan-2-yltetrazol-5-yl)aniline

Drug info:

PubChemData

Smile

CC(COC(=O)C1=C(C(=CC=C1)N)Br)C(=O)N

DOS

IR

Vibrations