Geometry & MOs

Info

ID:	43437
PubChem CID:	10321295
Reduced:	O3N5C25H27 (1)
Stoich.:	A3B5C25D27 (1)
Weight, g/mol:	445.222623
ΔH_f, kcal/mol:	29.12
Dipole, Da:	4.93
IP(EA), eV:	-8.85(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])NC(=O)CN4CCN(CC4)C

DOS

IR

Vibrations