Geometry & MOs

Info

ID:	26403
PubChem CID:	646662
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	376.222289
ΔH_f, kcal/mol:	-205.31
Dipole, Da:	4.4
IP(EA), eV:	-8.78(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

furan-2-yl-[4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]-3-methylbutyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=C(C1C2=CC3=C(C=C(C=C3)C)NC2=O)C(=O)OCC)C)C

DOS

IR

Vibrations