Geometry & MOs

Info

ID:	146471
PubChem CID:	53695492
Reduced:	C7H12 (4)
Stoich.:	A7B12 (4)
Weight, g/mol:	402.180424
ΔH_f, kcal/mol:	-65.29
Dipole, Da:	0.65
IP(EA), eV:	-9.06(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-5-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCC=CCCCCCCCCC(C)C1=CC=CC=C1CC

DOS

IR

Vibrations