Geometry & MOs

Info

ID:	135775
PubChem CID:	51934543
Reduced:	BrO3N5H19C20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	270.171871
ΔH_f, kcal/mol:	33.37
Dipole, Da:	4.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755181
Charge, e:	1

Chem-info

IUPAC name:

(1-cyclopropyltetrazol-5-yl)methyl-[(1S)-2,3-dihydro-1H-inden-1-yl]-methylazanium

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2Br)C3=C(N=C(O3)C4=CC=CO4)C#N

DOS

IR

Vibrations