Geometry & MOs

Info

ID:	409163
PubChem CID:	135081942
Reduced:	NOCl2C12H13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	462.157102
ΔH_f, kcal/mol:	-24.14
Dipole, Da:	3.53
IP(EA), eV:	-8.73(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-butyl-5-chloro-3-[[5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-2-yl]methyl]imidazol-4-yl]methanol

Drug info:

PubChemData

Smile

COC1=CCN(CC1)C2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations