Geometry & MOs

Info

ID:	217646
PubChem CID:	85088155
Reduced:	N2O2H24C25 (1)
Stoich.:	A2B2C24D25 (1)
Weight, g/mol:	386.243024
ΔH_f, kcal/mol:	12.71
Dipole, Da:	2.57
IP(EA), eV:	-8.6(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]-6-pyrazolidin-3-ylidenecyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCC1=CC(=C(N=C1C)OCC2=CC=CC=C2)C=CC3=NC4=C(O3)C=C(C=C4)C

DOS

IR

Vibrations