Geometry & MOs

Info

ID:	163772
PubChem CID:	74374214
Reduced:	F2N2O6C21H24 (1)
Stoich.:	A2B2C6D21E24 (1)
Weight, g/mol:	642.195338
ΔH_f, kcal/mol:	-291.18
Dipole, Da:	2.93
IP(EA), eV:	-8.64(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dinitrooxyhexyl 2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=CC2=CC(=C(C=C2)OC(F)F)NC(=O)C(CO)N

DOS

IR

Vibrations