Geometry & MOs

Info

ID:	249076
PubChem CID:	103086672
Reduced:	BrN5C15H22 (1)
Stoich.:	AB5C15D22 (1)
Weight, g/mol:	323.07456
ΔH_f, kcal/mol:	50.5
Dipole, Da:	7.56
IP(EA), eV:	-9.25(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-bromo-4,6-dimethylphenyl)tetrazol-5-yl]-N-ethylethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)Br)N2C(=NN=N2)C(C)NCC(C)C)C

DOS

IR

Vibrations