Geometry & MOs

Info

ID:	188646
PubChem CID:	77747479
Reduced:	NO5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	506.300539
ΔH_f, kcal/mol:	-224.61
Dipole, Da:	1.62
IP(EA), eV:	-9.04(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[4-[(2,5-dimethyl-1-propylpiperazin-2-yl)-(3-hydroxyphenyl)methyl]phenyl]tetrazol-2-yl]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C1)OC2=CC=CC=C2CC(=O)OC

DOS

IR

Vibrations