Geometry & MOs

Info

ID:

135776

PubChem CID:

51934684

Reduced:

NC3H4 (5)

Stoich.:

AB3C4 (5)

Weight, g/mol:

269.164046

ΔHf, kcal/mol:

131.96

Dipole, Da:

9.01

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.815918

Charge, e:

0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[NH+](CC1=NN=NN1C2CC2)[C@H]3CCC4=CC=CC=C34

DOS

IR

Vibrations