Geometry & MOs

Info

ID:	319417
PubChem CID:	126655933
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	200.121133
ΔH_f, kcal/mol:	-56.63
Dipole, Da:	4.26
IP(EA), eV:	-8.83(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-oxobut-1-enyl]-4-(1,1,1,2-tetradeuteriopropan-2-yl)tetrazol-5-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2CC(C2)C(=O)O)C3=CC(=CC=C3)C(C)(C)C

DOS

IR

Vibrations